_ |_) | recognition Release T5.1.2 all rights reserved * * * John Zhong Ren Renz Research, Inc. P. O. Box 605, Westmont, IL 60559, U. S. A. Email renz@renzresearch.com Tel (630) 230-0272 Fax (435) 514-2645 |||)) Welcome to CPLi 0.18.20071112 |||\\ Renz Research, Inc. Precognition: Input I: File & keyboard input (e.g., image & parameters) Quit Q: Exit Precognition (default) Precognition: Script file "refine.inp" is opened for input. Precognition: Input I: File & keyboard input (e.g., image & parameters) Quit Q: Exit Precognition (default) Precognition: diagnostic off Message of type "diagnostic" is turned off. Precognition: Input I: File & keyboard input (e.g., image & parameters) Quit Q: Exit Precognition (default) Precognition: busy off Message of type "busy" is turned off. Precognition: Input I: File & keyboard input (e.g., image & parameters) Quit Q: Exit Precognition (default) Precognition: Precognition: Input I: File & keyboard input (e.g., image & parameters) Quit Q: Exit Precognition (default) Precognition: @ pyp1_001.pre.spt.inp Script file "pyp1_001.pre.spt.inp" is opened for input. Precognition: Input I: File & keyboard input (e.g., image & parameters) Quit Q: Exit Precognition (default) Precognition: Input Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Crystal 66.900 66.900 40.800 90.000 90.000 120.000 173 Loading the Space-group Database ... The space-group #173 is loaded. File /home/renz/code/ccl/lib/symlib read. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Matrix -0.043900 0.944816 0.324646 0.371969 0.317053 -0.872420 -0.927206 0.082459 -0.365361 Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Omega -90.000 0.000 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Polar orientation of omega-axis is set to (-90,0) degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Format MarCCD Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Distance 100.000 0.000 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Crystal-to-detector distance is set to 100 mm. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Center 998.36 1031.81 0.20 0.20 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Direct-beam center is set to 998.36, 1031.81 in pixel. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Pixel 0.079200 0.079200 0.000010 0.000000 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Pixel size is set to 0.0792 X 0.0792 in mm. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Swing 0.000 0.000 0.000 0.000 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Detector swing angles are set to (0,0) in degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Tilt 0.000000 0.000000 0.100000 0.100000 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Detector tilt angles are set to (0,0) in degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Bulge 0.000000000000 0.000000000000 0.000000000000 0.000000000000 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Detector bulge corrections are set to (0,0) Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Resolution 2.20 100.00 Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Wavelength 1.00 1.40 Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Quit Precognition: Input I: File & keyboard input (e.g., image & parameters) Dataset D: Process data set Quit Q: Exit Precognition (default) Precognition: Script file is closed. Precognition: Input I: File & keyboard input (e.g., image & parameters) Dataset D: Process data set Quit Q: Exit Precognition (default) Precognition: Input Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Crystal 0 0 0.2 0 0 0 free Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Format MarCCD Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Distance 1.0 free Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Center 1.0 free Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Pixel 0.0001 free Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Tilt 0.2 free Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Bulge fix Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Omega O: Omega polar orientation (deg; o -90 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -30 pyp1_001.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -30 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -28 pyp1_002.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -28 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -26 pyp1_003.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -26 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -24 pyp1_004.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -24 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -22 pyp1_005.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -22 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -20 pyp1_006.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -20 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -18 pyp1_007.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -18 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -16 pyp1_008.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -16 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -14 pyp1_009.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -14 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -12 pyp1_010.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -12 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -10 pyp1_011.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -10 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -8 pyp1_012.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -8 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -6 pyp1_013.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -6 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -4 pyp1_014.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -4 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 -2 pyp1_015.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to -2 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 0 pyp1_016.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 0 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 2 pyp1_017.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 2 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 4 pyp1_018.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 4 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 6 pyp1_019.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 6 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 8 pyp1_020.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 8 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 10 pyp1_021.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 10 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 12 pyp1_022.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 12 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 14 pyp1_023.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 14 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 16 pyp1_024.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 16 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 18 pyp1_025.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 18 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 20 pyp1_026.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 20 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 22 pyp1_027.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 22 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 24 pyp1_028.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 24 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 26 pyp1_029.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 26 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 28 pyp1_030.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 28 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Goniometer 0 0 30 pyp1_031.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer omega is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer chi is set to 0 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Goniometer phi is set to 30 degree. Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Resolution 2.0 100 Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Wavelength 1 1.2 1.03 Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Spot 10 4 4.5 Precognition:Input: Format F: Image format (f [esrf]) Goniometer G: Goniometer omega, chi, phi (deg; g 0 0 0) Crystal X: Crystal info file or cell & SG No Matrix M: Missetting matrix (by row) Distance D: Crystal-detector distance (mm; d 100) Center C: Direct-beam (pxl; c 1000 1000) Center C: Normal projection (c 50 50 normal) Pixel P: Pixel size (mm; p 0.1 0.1) Swing S: Detector swing angles (deg; s 30 0) Tilt T: Detector tilt angle(s) (deg; t 0 [0]) Bulge B: Quadratic & cubic (10^-12; b 0 0) Image I: Image or dataset files Spot L: Length, width, sigma & file (pxl; l 8 6 2 [f]) Resolution R: User defaults (A; r 3 20) Wavelength W: User defaults (A; w 0.5 2) Chebyshev V: Maximum degree of spectrum (v 64) Anomalous A: Anomalous scattering (a [on/off]) Quit Q: Exit this menu (default) Precognition:Input: Quit Precognition: Input I: File & keyboard input (e.g., image & parameters) Dataset D: Process data set Quit Q: Exit Precognition (default) Precognition: Dataset progressive Precognition:Dataset: In I: Image directory Out O: Result directory Path P: Image/result directory OK K: Dummy for backward compatibility Quit Q: Exit this menu (default) Precognition:Dataset: In images Precognition:Dataset: In I: Image directory Out O: Result directory Path P: Image/result directory OK K: Dummy for backward compatibility Quit Q: Exit this menu (default) Precognition:Dataset: Quit ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_001.mccd read. File ./pyp1_001.mccd.re.spt is overwritten. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1156.76 950.08 0.0 1.0 0 0 0 959.57 1172.97 0.0 1.0 0 0 0 771.44 802.19 0.0 1.0 0 0 0 955.98 1381.03 0.0 1.0 0 0 0 752.39 837.86 0.0 1.0 0 0 0 1336.85 1044.90 0.0 1.0 0 0 0 870.18 826.23 0.0 1.0 0 0 0 1314.41 865.92 0.0 1.0 0 0 0 1130.27 611.86 0.0 1.0 0 0 0 807.53 794.79 0.0 1.0 0 0 0 765.56 1028.38 0.0 1.0 0 0 0 666.42 746.14 0.0 1.0 0 0 0 1356.11 1366.76 0.0 1.0 0 0 0 1273.35 784.70 0.0 1.0 0 0 0 750.19 1399.72 0.0 1.0 0 0 0 1336.99 1095.85 0.0 1.0 0 0 0 600.22 1178.07 0.0 1.0 0 0 0 708.20 1135.90 0.0 1.0 0 0 0 1124.25 862.76 0.0 1.0 0 0 0 979.34 766.53 0.0 1.0 0 0 0 890.71 687.86 0.0 1.0 0 0 0 1258.68 1338.38 0.0 1.0 0 0 0 652.05 926.62 0.0 1.0 0 0 0 1167.09 847.91 0.0 1.0 0 0 0 1027.52 1333.73 0.0 1.0 0 0 0 1311.44 793.71 0.0 1.0 0 0 0 983.58 662.41 0.0 1.0 0 0 0 1207.30 777.08 0.0 1.0 0 0 0 1149.77 732.47 0.0 1.0 0 0 0 1342.79 882.47 0.0 1.0 0 0 0 1359.57 1223.97 0.0 1.0 0 0 0 646.70 1159.89 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.58863 1.05308 Non-elliptical correction: 0.000305259 0.0112348 -0.00527141 0.00501155 Non-Gaussian correction: 0.914048 0.780204 Overall spot length is set to 10 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.193242 mm. Estimated mosaic spread in FWHM is 0.110065 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_001.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0262 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3627 111.5005 -84.9477 Euler angles (radian): 0.3554 1.9461 -1.4826 Missetting matrix: -0.04447376 0.94509715 0.32374908 0.37291472 0.31635045 -0.87227118 -0.92679917 0.08193762 -0.36650993 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -30.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2936 Direct-beam center (pixel): 998.1205 1031.8685 Pixel size (mm): 0.0792047 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1633 -0.2998 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3647 1093 File ./pyp1_001.mccd.pre.spt is overwritten. File ./pyp1_001.mccd.inp is overwritten. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_002.mccd read. File ./pyp1_002.mccd.re.spt is overwritten. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 933.27 1153.03 0.0 1.0 0 0 0 1262.87 1239.81 0.0 1.0 0 0 0 919.22 804.76 0.0 1.0 0 0 0 886.27 1021.00 0.0 1.0 0 0 0 1340.73 1043.50 0.0 1.0 0 0 0 1094.26 1192.49 0.0 1.0 0 0 0 870.89 1263.50 0.0 1.0 0 0 0 680.79 891.76 0.0 1.0 0 0 0 841.63 614.93 0.0 1.0 0 0 0 1184.75 1244.32 0.0 1.0 0 0 0 1354.37 1057.92 0.0 1.0 0 0 0 921.55 703.66 0.0 1.0 0 0 0 1059.29 752.02 0.0 1.0 0 0 0 1342.16 1481.05 0.0 1.0 0 0 0 1128.72 1435.97 0.0 1.0 0 0 0 1106.28 737.77 0.0 1.0 0 0 0 691.80 851.04 0.0 1.0 0 0 0 767.53 1027.64 0.0 1.0 0 0 0 557.44 1306.12 0.0 1.0 0 0 0 1184.98 965.75 0.0 1.0 0 0 0 860.69 681.25 0.0 1.0 0 0 0 910.03 1538.56 0.0 1.0 0 0 0 887.28 624.73 0.0 1.0 0 0 0 1207.94 764.85 0.0 1.0 0 0 0 1189.18 1394.30 0.0 1.0 0 0 0 1185.56 816.41 0.0 1.0 0 0 0 1060.50 676.80 0.0 1.0 0 0 0 1271.92 1392.78 0.0 1.0 0 0 0 711.89 814.49 0.0 1.0 0 0 0 1279.92 608.83 0.0 1.0 0 0 0 1208.09 599.47 0.0 1.0 0 0 0 872.13 568.47 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.61452 1.05325 Non-elliptical correction: 0.00162758 0.00131661 0.00406668 0.000601384 Non-Gaussian correction: 0.907809 0.773481 Overall spot length is set to 10 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.194003 mm. Estimated mosaic spread in FWHM is 0.109681 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_002.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0272 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3598 111.5121 -84.9459 Euler angles (radian): 0.3553 1.9463 -1.4826 Missetting matrix: -0.04449144 0.94512027 0.32367913 0.37310175 0.31627581 -0.87221826 -0.92672304 0.08195900 -0.36669759 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -28.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2941 Direct-beam center (pixel): 998.1149 1031.8604 Pixel size (mm): 0.0792075 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1823 -0.2810 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3982 1095 File ./pyp1_002.mccd.pre.spt is overwritten. File ./pyp1_002.mccd.inp is overwritten. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_003.mccd read. File ./pyp1_003.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1059.58 1339.74 0.0 1.0 0 0 0 925.55 780.04 0.0 1.0 0 0 0 853.99 1295.05 0.0 1.0 0 0 0 1360.63 1056.71 0.0 1.0 0 0 0 711.14 1400.03 0.0 1.0 0 0 0 1199.77 1136.37 0.0 1.0 0 0 0 1229.09 1151.45 0.0 1.0 0 0 0 951.96 717.73 0.0 1.0 0 0 0 657.11 734.82 0.0 1.0 0 0 0 889.49 692.26 0.0 1.0 0 0 0 722.61 699.06 0.0 1.0 0 0 0 1088.15 1426.56 0.0 1.0 0 0 0 734.88 918.83 0.0 1.0 0 0 0 1258.62 801.52 0.0 1.0 0 0 0 1251.45 752.57 0.0 1.0 0 0 0 873.52 632.78 0.0 1.0 0 0 0 1090.56 1362.15 0.0 1.0 0 0 0 1087.65 595.47 0.0 1.0 0 0 0 861.17 585.62 0.0 1.0 0 0 0 764.85 1248.97 0.0 1.0 0 0 0 965.56 616.44 0.0 1.0 0 0 0 1344.15 1042.04 0.0 1.0 0 0 0 1323.32 1026.13 0.0 1.0 0 0 0 749.31 1471.42 0.0 1.0 0 0 0 726.14 958.89 0.0 1.0 0 0 0 806.05 1377.30 0.0 1.0 0 0 0 1192.04 796.86 0.0 1.0 0 0 0 1247.23 846.13 0.0 1.0 0 0 0 1302.85 805.53 0.0 1.0 0 0 0 1310.43 920.73 0.0 1.0 0 0 0 1377.64 736.00 0.0 1.0 0 0 0 1048.07 1515.48 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.36642 1.00212 Non-elliptical correction: 0.00866772 0.0257813 0.00271443 0.00527544 Non-Gaussian correction: 0.872355 0.735067 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.188422 mm. Estimated mosaic spread in FWHM is 0.106345 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_003.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0267 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3624 111.5222 -84.9392 Euler angles (radian): 0.3554 1.9464 -1.4825 Missetting matrix: -0.04445317 0.94511638 0.32369576 0.37329020 0.31626050 -0.87214318 -0.92664899 0.08206293 -0.36686146 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -26.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2932 Direct-beam center (pixel): 998.1108 1031.8596 Pixel size (mm): 0.0792066 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1767 -0.2676 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3705 1073 File ./pyp1_003.mccd.pre.spt is written. File ./pyp1_003.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_004.mccd read. File ./pyp1_004.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1011.26 1148.59 0.0 1.0 0 0 0 772.00 1026.20 0.0 1.0 0 0 0 1165.05 928.87 0.0 1.0 0 0 0 769.40 957.01 0.0 1.0 0 0 0 1038.88 874.52 0.0 1.0 0 0 0 1237.91 924.51 0.0 1.0 0 0 0 1255.92 823.73 0.0 1.0 0 0 0 774.82 1232.02 0.0 1.0 0 0 0 1347.12 1040.54 0.0 1.0 0 0 0 1192.12 1086.67 0.0 1.0 0 0 0 1299.53 880.42 0.0 1.0 0 0 0 918.18 701.20 0.0 1.0 0 0 0 1367.45 1055.44 0.0 1.0 0 0 0 688.00 869.11 0.0 1.0 0 0 0 982.48 730.05 0.0 1.0 0 0 0 611.29 851.57 0.0 1.0 0 0 0 909.79 1472.10 0.0 1.0 0 0 0 1041.57 1304.98 0.0 1.0 0 0 0 1324.06 1199.05 0.0 1.0 0 0 0 1292.31 1135.53 0.0 1.0 0 0 0 1488.95 1282.11 0.0 1.0 0 0 0 1405.89 997.08 0.0 1.0 0 0 0 862.40 815.70 0.0 1.0 0 0 0 1341.45 798.38 0.0 1.0 0 0 0 1066.31 640.65 0.0 1.0 0 0 0 1372.70 906.24 0.0 1.0 0 0 0 829.35 921.53 0.0 1.0 0 0 0 952.69 617.27 0.0 1.0 0 0 0 1385.30 1069.25 0.0 1.0 0 0 0 1330.79 1372.06 0.0 1.0 0 0 0 1121.37 1234.66 0.0 1.0 0 0 0 649.08 1169.46 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.5156 1.01366 Non-elliptical correction: 0.0113148 -0.00364387 0.00158616 -0.00985551 Non-Gaussian correction: 0.87845 0.759094 Overall spot length is set to 10 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.199198 mm. Estimated mosaic spread in FWHM is 0.105359 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_004.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0273 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3655 111.5287 -84.9353 Euler angles (radian): 0.3554 1.9465 -1.4824 Missetting matrix: -0.04444702 0.94510521 0.32372923 0.37340693 0.31627879 -0.87208657 -0.92660225 0.08212109 -0.36696648 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -24.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2881 Direct-beam center (pixel): 998.1429 1031.8735 Pixel size (mm): 0.0792078 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1655 -0.2831 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3681 1051 File ./pyp1_004.mccd.pre.spt is written. File ./pyp1_004.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_005.mccd read. File ./pyp1_005.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 773.46 1025.47 0.0 1.0 0 0 0 725.97 1181.79 0.0 1.0 0 0 0 1092.73 1355.96 0.0 1.0 0 0 0 1328.11 1108.48 0.0 1.0 0 0 0 973.77 928.43 0.0 1.0 0 0 0 1393.34 1068.14 0.0 1.0 0 0 0 801.90 687.94 0.0 1.0 0 0 0 1025.02 821.70 0.0 1.0 0 0 0 1375.90 1176.75 0.0 1.0 0 0 0 773.35 867.40 0.0 1.0 0 0 0 902.45 749.04 0.0 1.0 0 0 0 1282.46 1008.37 0.0 1.0 0 0 0 1397.73 995.54 0.0 1.0 0 0 0 753.37 1268.96 0.0 1.0 0 0 0 870.07 793.64 0.0 1.0 0 0 0 1302.50 1094.78 0.0 1.0 0 0 0 962.60 767.45 0.0 1.0 0 0 0 973.13 1227.09 0.0 1.0 0 0 0 1303.41 951.05 0.0 1.0 0 0 0 1253.41 810.06 0.0 1.0 0 0 0 745.27 801.10 0.0 1.0 0 0 0 845.17 690.07 0.0 1.0 0 0 0 1373.81 1054.01 0.0 1.0 0 0 0 791.84 503.99 0.0 1.0 0 0 0 1294.31 713.41 0.0 1.0 0 0 0 1319.90 1023.42 0.0 1.0 0 0 0 1491.52 946.63 0.0 1.0 0 0 0 1061.31 733.09 0.0 1.0 0 0 0 983.64 644.14 0.0 1.0 0 0 0 1013.49 740.51 0.0 1.0 0 0 0 884.13 478.17 0.0 1.0 0 0 0 1287.16 648.83 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.46885 1.07042 Non-elliptical correction: 0.0168819 -0.00411908 -0.00250906 0.00753597 Non-Gaussian correction: 0.859028 0.784454 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.197534 mm. Estimated mosaic spread in FWHM is 0.0981101 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_005.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0243 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3664 111.5367 -84.9317 Euler angles (radian): 0.3555 1.9467 -1.4823 Missetting matrix: -0.04443743 0.94510717 0.32372481 0.37354839 0.31625867 -0.87203329 -0.92654569 0.08217596 -0.36709698 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -22.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.3021 Direct-beam center (pixel): 998.1208 1031.8628 Pixel size (mm): 0.0792094 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1855 -0.3031 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.4047 1067 File ./pyp1_005.mccd.pre.spt is written. File ./pyp1_005.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_006.mccd read. File ./pyp1_006.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1087.55 756.04 0.0 1.0 0 0 0 875.98 1124.13 0.0 1.0 0 0 0 1274.97 1007.83 0.0 1.0 0 0 0 1244.22 1064.69 0.0 1.0 0 0 0 1206.55 829.30 0.0 1.0 0 0 0 849.51 1022.13 0.0 1.0 0 0 0 1057.75 820.66 0.0 1.0 0 0 0 767.92 835.76 0.0 1.0 0 0 0 1317.57 1022.13 0.0 1.0 0 0 0 850.58 831.08 0.0 1.0 0 0 0 758.07 783.76 0.0 1.0 0 0 0 835.06 899.83 0.0 1.0 0 0 0 1402.64 1066.94 0.0 1.0 0 0 0 1390.75 1136.56 0.0 1.0 0 0 0 1072.68 1315.05 0.0 1.0 0 0 0 924.56 1457.52 0.0 1.0 0 0 0 865.19 617.83 0.0 1.0 0 0 0 1389.05 994.14 0.0 1.0 0 0 0 837.33 775.95 0.0 1.0 0 0 0 1243.02 736.41 0.0 1.0 0 0 0 1203.89 1160.72 0.0 1.0 0 0 0 1106.65 701.56 0.0 1.0 0 0 0 707.22 1414.82 0.0 1.0 0 0 0 1371.35 1124.76 0.0 1.0 0 0 0 1168.83 909.90 0.0 1.0 0 0 0 739.15 846.58 0.0 1.0 0 0 0 955.60 1401.94 0.0 1.0 0 0 0 1287.61 1081.61 0.0 1.0 0 0 0 1144.45 1405.48 0.0 1.0 0 0 0 1271.65 764.53 0.0 1.0 0 0 0 1295.06 799.08 0.0 1.0 0 0 0 1264.38 699.25 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.46637 1.03238 Non-elliptical correction: 0.0135458 0.001552 0.00741394 0.00310496 Non-Gaussian correction: 0.914573 0.775298 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.192667 mm. Estimated mosaic spread in FWHM is 0.102267 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_006.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0253 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3656 111.5477 -84.9258 Euler angles (radian): 0.3554 1.9469 -1.4822 Missetting matrix: -0.04439814 0.94512174 0.32368766 0.37374802 0.31619232 -0.87197181 -0.92646707 0.08226369 -0.36727573 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -20.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2958 Direct-beam center (pixel): 998.1067 1031.8843 Pixel size (mm): 0.0792123 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1921 -0.2765 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.377 1093 File ./pyp1_006.mccd.pre.spt is written. File ./pyp1_006.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_007.mccd read. File ./pyp1_007.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 917.36 1473.08 0.0 1.0 0 0 0 952.86 794.62 0.0 1.0 0 0 0 776.10 813.73 0.0 1.0 0 0 0 896.17 734.69 0.0 1.0 0 0 0 862.01 814.62 0.0 1.0 0 0 0 1123.14 1022.34 0.0 1.0 0 0 0 1314.80 1020.88 0.0 1.0 0 0 0 1015.68 823.59 0.0 1.0 0 0 0 851.59 929.88 0.0 1.0 0 0 0 815.28 809.09 0.0 1.0 0 0 0 847.74 658.19 0.0 1.0 0 0 0 806.19 928.61 0.0 1.0 0 0 0 1411.28 1065.50 0.0 1.0 0 0 0 754.51 1200.22 0.0 1.0 0 0 0 760.87 724.08 0.0 1.0 0 0 0 733.94 1375.84 0.0 1.0 0 0 0 868.59 484.20 0.0 1.0 0 0 0 1016.36 1674.52 0.0 1.0 0 0 0 1059.32 619.00 0.0 1.0 0 0 0 1226.16 850.09 0.0 1.0 0 0 0 726.83 735.82 0.0 1.0 0 0 0 1300.82 1279.44 0.0 1.0 0 0 0 1140.64 1296.64 0.0 1.0 0 0 0 1167.53 1441.16 0.0 1.0 0 0 0 774.07 933.82 0.0 1.0 0 0 0 894.67 626.98 0.0 1.0 0 0 0 1273.40 1215.89 0.0 1.0 0 0 0 1242.42 1252.17 0.0 1.0 0 0 0 1002.12 648.71 0.0 1.0 0 0 0 1150.15 685.68 0.0 1.0 0 0 0 966.66 846.71 0.0 1.0 0 0 0 1400.25 878.69 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.40806 1.03572 Non-elliptical correction: 0.00147243 -0.011002 -0.000127015 -0.00272002 Non-Gaussian correction: 0.870965 0.768774 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.186647 mm. Estimated mosaic spread in FWHM is 0.101851 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_007.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0234 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3684 111.5564 -84.9265 Euler angles (radian): 0.3555 1.9470 -1.4822 Missetting matrix: -0.04447525 0.94511037 0.32371027 0.37387387 0.31623021 -0.87190411 -0.92641259 0.08224866 -0.36741649 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -18.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2956 Direct-beam center (pixel): 998.1105 1031.8932 Pixel size (mm): 0.0792108 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1925 -0.2941 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.382 1074 File ./pyp1_007.mccd.pre.spt is written. File ./pyp1_007.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_008.mccd read. File ./pyp1_008.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 748.13 697.96 0.0 1.0 0 0 0 1311.66 1019.67 0.0 1.0 0 0 0 1253.28 1275.69 0.0 1.0 0 0 0 1189.65 862.10 0.0 1.0 0 0 0 1397.29 796.73 0.0 1.0 0 0 0 794.41 802.74 0.0 1.0 0 0 0 1254.82 695.72 0.0 1.0 0 0 0 1493.05 1010.39 0.0 1.0 0 0 0 1289.87 1110.05 0.0 1.0 0 0 0 834.73 802.60 0.0 1.0 0 0 0 1323.06 902.92 0.0 1.0 0 0 0 827.07 689.95 0.0 1.0 0 0 0 667.50 1417.70 0.0 1.0 0 0 0 1101.57 984.59 0.0 1.0 0 0 0 901.79 1294.39 0.0 1.0 0 0 0 1375.10 953.33 0.0 1.0 0 0 0 665.68 744.06 0.0 1.0 0 0 0 1102.92 595.75 0.0 1.0 0 0 0 1326.29 1195.61 0.0 1.0 0 0 0 703.82 915.42 0.0 1.0 0 0 0 1264.28 772.44 0.0 1.0 0 0 0 1260.71 968.64 0.0 1.0 0 0 0 1354.22 1208.69 0.0 1.0 0 0 0 1418.45 832.49 0.0 1.0 0 0 0 967.99 754.33 0.0 1.0 0 0 0 770.57 1456.00 0.0 1.0 0 0 0 1030.19 455.65 0.0 1.0 0 0 0 1332.18 942.29 0.0 1.0 0 0 0 1162.73 1467.02 0.0 1.0 0 0 0 805.51 1396.76 0.0 1.0 0 0 0 594.89 1184.70 0.0 1.0 0 0 0 975.74 628.54 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.48028 1.0369 Non-elliptical correction: 0.0129103 0.00835644 0.00181781 0.0101733 Non-Gaussian correction: 0.943452 0.781378 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.187048 mm. Estimated mosaic spread in FWHM is 0.102754 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_008.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0258 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3707 111.5610 -84.9180 Euler angles (radian): 0.3555 1.9471 -1.4821 Missetting matrix: -0.04437752 0.94510608 0.32373620 0.37398839 0.31620819 -0.87186298 -0.92637105 0.08238247 -0.36749124 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -16.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2952 Direct-beam center (pixel): 998.1022 1031.8690 Pixel size (mm): 0.0792065 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1693 -0.3226 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3966 1060 File ./pyp1_008.mccd.pre.spt is written. File ./pyp1_008.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_009.mccd read. File ./pyp1_009.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 714.04 1058.19 0.0 1.0 0 0 0 1380.10 1080.20 0.0 1.0 0 0 0 1210.89 1048.17 0.0 1.0 0 0 0 1241.61 972.01 0.0 1.0 0 0 0 1308.15 1018.47 0.0 1.0 0 0 0 943.24 1363.74 0.0 1.0 0 0 0 800.10 818.92 0.0 1.0 0 0 0 807.98 758.27 0.0 1.0 0 0 0 1115.95 752.49 0.0 1.0 0 0 0 1241.10 1290.24 0.0 1.0 0 0 0 763.80 825.91 0.0 1.0 0 0 0 832.31 560.16 0.0 1.0 0 0 0 1348.14 852.59 0.0 1.0 0 0 0 1206.39 714.99 0.0 1.0 0 0 0 674.18 946.12 0.0 1.0 0 0 0 1063.35 683.06 0.0 1.0 0 0 0 1028.13 572.84 0.0 1.0 0 0 0 888.13 1253.27 0.0 1.0 0 0 0 1053.04 815.22 0.0 1.0 0 0 0 866.44 1581.44 0.0 1.0 0 0 0 1348.00 630.73 0.0 1.0 0 0 0 1265.24 1096.55 0.0 1.0 0 0 0 1252.63 582.96 0.0 1.0 0 0 0 899.51 1522.93 0.0 1.0 0 0 0 762.71 1258.77 0.0 1.0 0 0 0 1326.16 1383.80 0.0 1.0 0 0 0 759.77 968.45 0.0 1.0 0 0 0 1226.62 663.36 0.0 1.0 0 0 0 1113.58 1419.00 0.0 1.0 0 0 0 1237.31 1344.67 0.0 1.0 0 0 0 1443.76 1366.05 0.0 1.0 0 0 0 1217.34 688.02 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.31685 1.04206 Non-elliptical correction: 0.00100456 0.00773837 -0.00570115 0.013913 Non-Gaussian correction: 0.856619 0.788993 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.196501 mm. Estimated mosaic spread in FWHM is 0.0977278 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_009.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0250 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3713 111.5734 -84.9135 Euler angles (radian): 0.3555 1.9473 -1.4820 Missetting matrix: -0.04437622 0.94511286 0.32371659 0.37420051 0.31617076 -0.87178554 -0.92628545 0.08244837 -0.36769218 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -14.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2943 Direct-beam center (pixel): 998.1001 1031.8799 Pixel size (mm): 0.0792087 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1837 -0.2897 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3905 1050 File ./pyp1_009.mccd.pre.spt is written. File ./pyp1_009.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_010.mccd read. File ./pyp1_010.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 888.99 1107.33 0.0 1.0 0 0 0 1344.06 816.88 0.0 1.0 0 0 0 1382.31 723.75 0.0 1.0 0 0 0 1128.66 597.01 0.0 1.0 0 0 0 1218.01 1048.22 0.0 1.0 0 0 0 953.77 1352.32 0.0 1.0 0 0 0 1165.48 980.20 0.0 1.0 0 0 0 1166.36 710.78 0.0 1.0 0 0 0 1358.69 1161.30 0.0 1.0 0 0 0 1233.19 831.42 0.0 1.0 0 0 0 1396.76 1321.65 0.0 1.0 0 0 0 773.97 774.06 0.0 1.0 0 0 0 1011.05 822.28 0.0 1.0 0 0 0 1267.88 1328.54 0.0 1.0 0 0 0 1356.84 791.82 0.0 1.0 0 0 0 1392.54 1079.89 0.0 1.0 0 0 0 970.10 705.89 0.0 1.0 0 0 0 1390.19 1175.39 0.0 1.0 0 0 0 769.34 589.67 0.0 1.0 0 0 0 804.79 614.03 0.0 1.0 0 0 0 710.48 942.46 0.0 1.0 0 0 0 1116.29 631.71 0.0 1.0 0 0 0 1259.04 882.42 0.0 1.0 0 0 0 1156.21 737.24 0.0 1.0 0 0 0 1193.59 628.55 0.0 1.0 0 0 0 1321.40 1145.25 0.0 1.0 0 0 0 718.21 1553.65 0.0 1.0 0 0 0 1128.30 1411.16 0.0 1.0 0 0 0 781.53 884.86 0.0 1.0 0 0 0 790.61 518.29 0.0 1.0 0 0 0 1110.47 1277.77 0.0 1.0 0 0 0 573.38 881.23 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.52096 1.03489 Non-elliptical correction: 0.00182215 -0.00583159 -0.00626631 -0.00823843 Non-Gaussian correction: 0.912432 0.753359 Overall spot length is set to 10 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.178223 mm. Estimated mosaic spread in FWHM is 0.112401 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_010.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0226 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3738 111.5825 -84.9105 Euler angles (radian): 0.3556 1.9475 -1.4820 Missetting matrix: -0.04439369 0.94510598 0.32373429 0.37435356 0.31617986 -0.87171653 -0.92622277 0.08249237 -0.36784018 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -12.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2970 Direct-beam center (pixel): 998.0997 1031.8889 Pixel size (mm): 0.0792089 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1833 -0.2930 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3746 1031 File ./pyp1_010.mccd.pre.spt is written. File ./pyp1_010.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_011.mccd read. File ./pyp1_011.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 883.72 944.12 0.0 1.0 0 0 0 1074.00 1184.88 0.0 1.0 0 0 0 1146.28 1267.79 0.0 1.0 0 0 0 867.12 1447.07 0.0 1.0 0 0 0 721.47 1200.63 0.0 1.0 0 0 0 1181.68 755.78 0.0 1.0 0 0 0 853.06 690.31 0.0 1.0 0 0 0 946.23 1372.95 0.0 1.0 0 0 0 1100.16 1291.74 0.0 1.0 0 0 0 806.37 717.74 0.0 1.0 0 0 0 1189.20 733.77 0.0 1.0 0 0 0 1340.80 1177.42 0.0 1.0 0 0 0 768.70 689.89 0.0 1.0 0 0 0 1227.03 1264.07 0.0 1.0 0 0 0 684.11 922.10 0.0 1.0 0 0 0 1149.12 1336.12 0.0 1.0 0 0 0 1055.44 1156.47 0.0 1.0 0 0 0 1198.38 1157.52 0.0 1.0 0 0 0 771.90 659.98 0.0 1.0 0 0 0 849.36 721.02 0.0 1.0 0 0 0 1229.70 1333.41 0.0 1.0 0 0 0 1172.36 780.25 0.0 1.0 0 0 0 1284.84 793.66 0.0 1.0 0 0 0 808.75 686.21 0.0 1.0 0 0 0 1293.18 770.56 0.0 1.0 0 0 0 927.72 1406.48 0.0 1.0 0 0 0 813.49 657.26 0.0 1.0 0 0 0 678.24 817.86 0.0 1.0 0 0 0 1242.73 1083.09 0.0 1.0 0 0 0 1294.17 893.15 0.0 1.0 0 0 0 820.02 630.91 0.0 1.0 0 0 0 1121.57 715.23 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.34857 1.09297 Non-elliptical correction: 0.00734659 -0.00348636 0.000176086 -0.0104012 Non-Gaussian correction: 0.86994 0.817797 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.199172 mm. Estimated mosaic spread in FWHM is 0.102665 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_011.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0234 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3762 111.5908 -84.9058 Euler angles (radian): 0.3556 1.9476 -1.4819 Missetting matrix: -0.04437858 0.94510061 0.32375203 0.37450450 0.31617723 -0.87165265 -0.92616247 0.08256388 -0.36797593 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -10.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2990 Direct-beam center (pixel): 998.0988 1031.8839 Pixel size (mm): 0.0792070 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1750 -0.2871 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.389 1004 File ./pyp1_011.mccd.pre.spt is written. File ./pyp1_011.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_012.mccd read. File ./pyp1_012.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 729.94 765.24 0.0 1.0 0 0 0 849.17 786.54 0.0 1.0 0 0 0 1096.64 1384.49 0.0 1.0 0 0 0 803.41 747.64 0.0 1.0 0 0 0 1120.49 817.30 0.0 1.0 0 0 0 1338.34 1082.84 0.0 1.0 0 0 0 1241.50 1224.39 0.0 1.0 0 0 0 957.90 1355.61 0.0 1.0 0 0 0 1192.40 814.90 0.0 1.0 0 0 0 1309.02 792.59 0.0 1.0 0 0 0 792.25 1221.40 0.0 1.0 0 0 0 592.92 934.18 0.0 1.0 0 0 0 1321.04 1049.30 0.0 1.0 0 0 0 703.06 778.94 0.0 1.0 0 0 0 730.08 922.28 0.0 1.0 0 0 0 1278.31 681.29 0.0 1.0 0 0 0 809.46 821.91 0.0 1.0 0 0 0 899.71 1468.20 0.0 1.0 0 0 0 1326.84 990.81 0.0 1.0 0 0 0 1130.55 790.69 0.0 1.0 0 0 0 1296.99 834.56 0.0 1.0 0 0 0 1310.65 931.27 0.0 1.0 0 0 0 728.85 1259.64 0.0 1.0 0 0 0 766.08 789.41 0.0 1.0 0 0 0 930.00 572.04 0.0 1.0 0 0 0 1169.54 1238.74 0.0 1.0 0 0 0 939.22 649.48 0.0 1.0 0 0 0 1106.85 1612.26 0.0 1.0 0 0 0 1382.00 1097.73 0.0 1.0 0 0 0 704.26 576.71 0.0 1.0 0 0 0 1153.99 714.33 0.0 1.0 0 0 0 917.95 1438.51 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.38713 1.05378 Non-elliptical correction: 0.00901345 -0.0126193 0.000693485 -0.00492186 Non-Gaussian correction: 0.916218 0.777723 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.196981 mm. Estimated mosaic spread in FWHM is 0.100353 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_012.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0251 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3817 111.6003 -84.8985 Euler angles (radian): 0.3557 1.9478 -1.4818 Missetting matrix: -0.04434749 0.94508054 0.32381488 0.37468405 0.31620778 -0.87156440 -0.92609134 0.08267658 -0.36812962 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -8.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2930 Direct-beam center (pixel): 998.1035 1031.8919 Pixel size (mm): 0.0792048 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1718 -0.2748 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3808 973 File ./pyp1_012.mccd.pre.spt is written. File ./pyp1_012.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_013.mccd read. File ./pyp1_013.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 951.35 851.61 0.0 1.0 0 0 0 702.65 1313.91 0.0 1.0 0 0 0 1256.99 1138.87 0.0 1.0 0 0 0 1351.19 1083.21 0.0 1.0 0 0 0 1367.01 1116.60 0.0 1.0 0 0 0 1224.65 822.52 0.0 1.0 0 0 0 702.71 876.88 0.0 1.0 0 0 0 1200.39 890.08 0.0 1.0 0 0 0 1326.26 1048.24 0.0 1.0 0 0 0 843.00 886.15 0.0 1.0 0 0 0 1145.69 1467.52 0.0 1.0 0 0 0 636.29 778.65 0.0 1.0 0 0 0 641.19 809.32 0.0 1.0 0 0 0 1305.22 1445.42 0.0 1.0 0 0 0 681.22 1350.65 0.0 1.0 0 0 0 1297.42 914.41 0.0 1.0 0 0 0 1335.70 965.66 0.0 1.0 0 0 0 662.81 824.49 0.0 1.0 0 0 0 996.64 707.22 0.0 1.0 0 0 0 1272.18 1170.20 0.0 1.0 0 0 0 1137.77 1320.99 0.0 1.0 0 0 0 763.68 1191.52 0.0 1.0 0 0 0 1211.76 865.21 0.0 1.0 0 0 0 906.27 1477.76 0.0 1.0 0 0 0 605.21 1149.48 0.0 1.0 0 0 0 1343.98 683.19 0.0 1.0 0 0 0 1214.46 987.03 0.0 1.0 0 0 0 647.42 949.67 0.0 1.0 0 0 0 927.10 1438.06 0.0 1.0 0 0 0 1475.97 1158.52 0.0 1.0 0 0 0 1381.91 788.20 0.0 1.0 0 0 0 1231.32 1102.80 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.69741 1.04511 Non-elliptical correction: 0.00406311 -0.0291726 0.000206902 -0.0163913 Non-Gaussian correction: 1.03441 0.78819 Overall spot length is set to 10 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.190129 mm. Estimated mosaic spread in FWHM is 0.104681 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_013.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0247 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3841 111.6085 -84.8965 Euler angles (radian): 0.3558 1.9479 -1.4817 Missetting matrix: -0.04437721 0.94507300 0.32383280 0.37481736 0.31622329 -0.87150145 -0.92603596 0.08270335 -0.36826288 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -6.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2918 Direct-beam center (pixel): 998.0824 1031.9090 Pixel size (mm): 0.0792033 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1815 -0.2769 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3823 1024 File ./pyp1_013.mccd.pre.spt is written. File ./pyp1_013.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_014.mccd read. File ./pyp1_014.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 832.25 1150.37 0.0 1.0 0 0 0 1257.19 830.55 0.0 1.0 0 0 0 940.74 1327.51 0.0 1.0 0 0 0 869.96 706.84 0.0 1.0 0 0 0 824.38 846.92 0.0 1.0 0 0 0 736.95 731.33 0.0 1.0 0 0 0 874.06 824.30 0.0 1.0 0 0 0 786.90 788.04 0.0 1.0 0 0 0 1444.51 807.60 0.0 1.0 0 0 0 846.49 1204.25 0.0 1.0 0 0 0 724.20 808.79 0.0 1.0 0 0 0 1122.80 662.97 0.0 1.0 0 0 0 897.26 755.07 0.0 1.0 0 0 0 730.08 755.25 0.0 1.0 0 0 0 753.51 1301.56 0.0 1.0 0 0 0 1331.15 1047.09 0.0 1.0 0 0 0 1145.89 1135.07 0.0 1.0 0 0 0 1318.06 967.49 0.0 1.0 0 0 0 1257.70 847.54 0.0 1.0 0 0 0 1056.18 1487.82 0.0 1.0 0 0 0 1293.45 1326.53 0.0 1.0 0 0 0 1268.35 1193.27 0.0 1.0 0 0 0 1372.25 1286.23 0.0 1.0 0 0 0 1482.96 593.71 0.0 1.0 0 0 0 1240.94 1279.53 0.0 1.0 0 0 0 1246.94 1159.29 0.0 1.0 0 0 0 1137.20 1080.30 0.0 1.0 0 0 0 1330.29 1246.23 0.0 1.0 0 0 0 793.31 1149.79 0.0 1.0 0 0 0 608.04 885.45 0.0 1.0 0 0 0 1133.26 997.08 0.0 1.0 0 0 0 1335.94 921.69 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.47709 1.07777 Non-elliptical correction: 0.000951543 -0.0231754 -0.00224797 -0.0187224 Non-Gaussian correction: 0.923509 0.815926 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.200307 mm. Estimated mosaic spread in FWHM is 0.101627 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_014.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0211 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3873 111.6151 -84.8946 Euler angles (radian): 0.3558 1.9481 -1.4817 Missetting matrix: -0.04440377 0.94505990 0.32386739 0.37492578 0.31625525 -0.87144321 -0.92599080 0.08273088 -0.36837025 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -4.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2999 Direct-beam center (pixel): 998.0724 1031.8975 Pixel size (mm): 0.0792069 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1865 -0.3037 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.372 1058 File ./pyp1_014.mccd.pre.spt is written. File ./pyp1_014.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_015.mccd read. File ./pyp1_015.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 901.37 974.69 0.0 1.0 0 0 0 1207.55 1141.46 0.0 1.0 0 0 0 1080.28 1197.97 0.0 1.0 0 0 0 1289.76 838.82 0.0 1.0 0 0 0 1282.20 728.37 0.0 1.0 0 0 0 1135.37 1154.42 0.0 1.0 0 0 0 819.32 1095.06 0.0 1.0 0 0 0 1140.99 972.96 0.0 1.0 0 0 0 1372.23 675.23 0.0 1.0 0 0 0 1271.73 1222.14 0.0 1.0 0 0 0 1068.61 1310.03 0.0 1.0 0 0 0 707.46 1072.58 0.0 1.0 0 0 0 1095.28 869.83 0.0 1.0 0 0 0 1091.21 887.23 0.0 1.0 0 0 0 1372.14 951.44 0.0 1.0 0 0 0 782.36 997.80 0.0 1.0 0 0 0 717.39 652.08 0.0 1.0 0 0 0 767.00 630.65 0.0 1.0 0 0 0 1373.74 929.41 0.0 1.0 0 0 0 893.32 640.38 0.0 1.0 0 0 0 914.25 663.64 0.0 1.0 0 0 0 1335.62 1045.80 0.0 1.0 0 0 0 659.99 1133.44 0.0 1.0 0 0 0 1350.04 1022.33 0.0 1.0 0 0 0 1192.35 1276.15 0.0 1.0 0 0 0 1266.43 656.51 0.0 1.0 0 0 0 1196.40 1379.68 0.0 1.0 0 0 0 1147.34 538.84 0.0 1.0 0 0 0 1220.11 1069.03 0.0 1.0 0 0 0 1379.11 1193.64 0.0 1.0 0 0 0 693.16 1263.49 0.0 1.0 0 0 0 1289.74 1253.89 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.42473 1.0162 Non-elliptical correction: 0.000233583 -0.0135014 -0.0060706 -0.0120651 Non-Gaussian correction: 0.898787 0.767674 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.192189 mm. Estimated mosaic spread in FWHM is 0.0964833 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_015.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0254 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3925 111.6200 -84.8864 Euler angles (radian): 0.3559 1.9481 -1.4815 Missetting matrix: -0.04433067 0.94504021 0.32393486 0.37503991 0.31628044 -0.87138496 -0.92594809 0.08285942 -0.36844872 Goniometer omega, chi, phi(degree): 0.0000 0.0000 -2.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2941 Direct-beam center (pixel): 998.0739 1031.9229 Pixel size (mm): 0.0792061 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1709 -0.3218 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3975 1062 File ./pyp1_015.mccd.pre.spt is written. File ./pyp1_015.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_016.mccd read. File ./pyp1_016.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 852.94 743.73 0.0 1.0 0 0 0 1208.51 834.32 0.0 1.0 0 0 0 809.67 740.48 0.0 1.0 0 0 0 1065.47 830.61 0.0 1.0 0 0 0 631.02 1127.43 0.0 1.0 0 0 0 793.76 752.24 0.0 1.0 0 0 0 716.29 790.54 0.0 1.0 0 0 0 1047.49 762.22 0.0 1.0 0 0 0 1321.91 847.16 0.0 1.0 0 0 0 1175.50 1412.35 0.0 1.0 0 0 0 711.03 872.65 0.0 1.0 0 0 0 831.20 1246.74 0.0 1.0 0 0 0 1208.93 1091.19 0.0 1.0 0 0 0 668.82 1148.77 0.0 1.0 0 0 0 928.35 875.56 0.0 1.0 0 0 0 1339.71 1044.42 0.0 1.0 0 0 0 759.96 610.27 0.0 1.0 0 0 0 949.41 847.35 0.0 1.0 0 0 0 757.36 759.88 0.0 1.0 0 0 0 1094.51 568.31 0.0 1.0 0 0 0 919.09 897.49 0.0 1.0 0 0 0 791.41 1403.23 0.0 1.0 0 0 0 1267.84 1292.35 0.0 1.0 0 0 0 1342.10 1203.32 0.0 1.0 0 0 0 694.27 884.73 0.0 1.0 0 0 0 1150.00 1471.05 0.0 1.0 0 0 0 1417.88 1283.36 0.0 1.0 0 0 0 1076.01 648.39 0.0 1.0 0 0 0 939.13 859.66 0.0 1.0 0 0 0 1312.75 1166.25 0.0 1.0 0 0 0 894.74 1444.54 0.0 1.0 0 0 0 905.22 532.01 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.26041 0.967457 Non-elliptical correction: -0.00166462 -0.0158845 -0.00384569 -0.0088931 Non-Gaussian correction: 0.86474 0.726007 Overall spot length is set to 9 pixels. Overall spot width is set to 3 pixels. Estimated crystal dimension is 0.184506 mm. Estimated mosaic spread in FWHM is 0.0987713 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_016.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0207 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3962 111.6309 -84.8836 Euler angles (radian): 0.3560 1.9483 -1.4815 Missetting matrix: -0.04436882 0.94502712 0.32396781 0.37521769 0.31630891 -0.87129809 -0.92587423 0.08289998 -0.36862514 Goniometer omega, chi, phi(degree): 0.0000 0.0000 0.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2967 Direct-beam center (pixel): 998.0724 1031.9207 Pixel size (mm): 0.0792067 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1826 -0.2781 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3523 1000 File ./pyp1_016.mccd.pre.spt is written. File ./pyp1_016.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_017.mccd read. File ./pyp1_017.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 820.21 862.66 0.0 1.0 0 0 0 769.50 908.15 0.0 1.0 0 0 0 808.73 881.65 0.0 1.0 0 0 0 1180.97 805.06 0.0 1.0 0 0 0 1123.73 1268.41 0.0 1.0 0 0 0 800.11 903.55 0.0 1.0 0 0 0 1201.03 1260.52 0.0 1.0 0 0 0 1024.80 830.32 0.0 1.0 0 0 0 784.37 687.08 0.0 1.0 0 0 0 766.22 1383.06 0.0 1.0 0 0 0 1308.76 890.78 0.0 1.0 0 0 0 1106.56 656.21 0.0 1.0 0 0 0 1376.16 614.50 0.0 1.0 0 0 0 992.05 648.03 0.0 1.0 0 0 0 1282.67 1153.78 0.0 1.0 0 0 0 1038.28 912.46 0.0 1.0 0 0 0 1153.85 616.78 0.0 1.0 0 0 0 1273.61 1367.79 0.0 1.0 0 0 0 1195.60 589.72 0.0 1.0 0 0 0 607.37 955.66 0.0 1.0 0 0 0 1297.17 796.96 0.0 1.0 0 0 0 1344.63 1019.27 0.0 1.0 0 0 0 1389.69 939.56 0.0 1.0 0 0 0 1025.72 676.06 0.0 1.0 0 0 0 684.57 1073.47 0.0 1.0 0 0 0 1301.42 1135.44 0.0 1.0 0 0 0 1250.44 833.45 0.0 1.0 0 0 0 947.93 1255.31 0.0 1.0 0 0 0 1254.56 1338.09 0.0 1.0 0 0 0 932.38 1383.27 0.0 1.0 0 0 0 593.89 680.06 0.0 1.0 0 0 0 771.41 1115.55 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.39975 1.0645 Non-elliptical correction: 0.00321946 -0.0133412 -0.00173724 -0.00628258 Non-Gaussian correction: 0.918078 0.78287 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.197415 mm. Estimated mosaic spread in FWHM is 0.100297 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_017.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0281 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4011 111.6400 -84.8818 Euler angles (radian): 0.3561 1.9485 -1.4815 Missetting matrix: -0.04442238 0.94500622 0.32402145 0.37536171 0.31636513 -0.87121564 -0.92581329 0.08292377 -0.36877284 Goniometer omega, chi, phi(degree): 0.0000 0.0000 2.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2924 Direct-beam center (pixel): 998.0806 1031.9534 Pixel size (mm): 0.0792012 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1916 -0.2990 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3916 1057 File ./pyp1_017.mccd.pre.spt is written. File ./pyp1_017.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_018.mccd read. File ./pyp1_018.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 893.66 1464.32 0.0 1.0 0 0 0 737.85 667.90 0.0 1.0 0 0 0 1088.37 1181.66 0.0 1.0 0 0 0 1240.44 974.18 0.0 1.0 0 0 0 1136.96 664.63 0.0 1.0 0 0 0 1415.11 772.20 0.0 1.0 0 0 0 1148.36 1506.90 0.0 1.0 0 0 0 1110.37 1313.38 0.0 1.0 0 0 0 1058.07 668.96 0.0 1.0 0 0 0 1077.59 1673.87 0.0 1.0 0 0 0 1191.61 1310.46 0.0 1.0 0 0 0 1427.05 848.29 0.0 1.0 0 0 0 1448.07 1222.28 0.0 1.0 0 0 0 836.90 582.75 0.0 1.0 0 0 0 919.85 1412.27 0.0 1.0 0 0 0 1373.75 787.15 0.0 1.0 0 0 0 908.78 588.79 0.0 1.0 0 0 0 1384.37 863.37 0.0 1.0 0 0 0 1259.77 1219.28 0.0 1.0 0 0 0 837.26 1142.59 0.0 1.0 0 0 0 842.60 451.28 0.0 1.0 0 0 0 1035.58 570.82 0.0 1.0 0 0 0 586.97 1123.08 0.0 1.0 0 0 0 1066.26 802.03 0.0 1.0 0 0 0 1434.02 1242.46 0.0 1.0 0 0 0 1179.37 1257.90 0.0 1.0 0 0 0 1178.68 636.73 0.0 1.0 0 0 0 1428.72 945.57 0.0 1.0 0 0 0 527.17 914.56 0.0 1.0 0 0 0 1354.41 1342.20 0.0 1.0 0 0 0 552.56 1282.27 0.0 1.0 0 0 0 1341.16 1017.81 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.47761 1.04404 Non-elliptical correction: -0.00236894 -0.00665176 -0.00885336 -0.00362871 Non-Gaussian correction: 0.903919 0.782396 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.183367 mm. Estimated mosaic spread in FWHM is 0.106026 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_018.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0254 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4047 111.6450 -84.8757 Euler angles (radian): 0.3561 1.9486 -1.4814 Missetting matrix: -0.04437420 0.94499342 0.32406538 0.37546850 0.31637836 -0.87116482 -0.92577229 0.08301910 -0.36885430 Goniometer omega, chi, phi(degree): 0.0000 0.0000 4.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2981 Direct-beam center (pixel): 998.0924 1031.9236 Pixel size (mm): 0.0792061 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1946 -0.3020 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3777 1009 File ./pyp1_018.mccd.pre.spt is written. File ./pyp1_018.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_019.mccd read. File ./pyp1_019.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1096.28 953.64 0.0 1.0 0 0 0 1052.56 842.93 0.0 1.0 0 0 0 860.62 821.25 0.0 1.0 0 0 0 1395.22 800.00 0.0 1.0 0 0 0 1295.74 776.77 0.0 1.0 0 0 0 816.91 816.93 0.0 1.0 0 0 0 1271.75 725.27 0.0 1.0 0 0 0 1274.32 863.43 0.0 1.0 0 0 0 1427.22 965.38 0.0 1.0 0 0 0 677.78 1233.95 0.0 1.0 0 0 0 1281.48 938.40 0.0 1.0 0 0 0 1305.88 835.30 0.0 1.0 0 0 0 1228.43 900.33 0.0 1.0 0 0 0 957.98 878.91 0.0 1.0 0 0 0 1337.42 1016.40 0.0 1.0 0 0 0 753.38 1159.11 0.0 1.0 0 0 0 1417.41 1264.11 0.0 1.0 0 0 0 1206.28 700.76 0.0 1.0 0 0 0 1200.98 836.98 0.0 1.0 0 0 0 1179.79 785.42 0.0 1.0 0 0 0 715.10 734.05 0.0 1.0 0 0 0 805.87 715.20 0.0 1.0 0 0 0 1030.39 564.64 0.0 1.0 0 0 0 1232.35 1209.61 0.0 1.0 0 0 0 1255.38 1343.68 0.0 1.0 0 0 0 1353.89 815.56 0.0 1.0 0 0 0 1166.61 674.06 0.0 1.0 0 0 0 967.50 1489.97 0.0 1.0 0 0 0 1128.78 830.13 0.0 1.0 0 0 0 972.32 671.63 0.0 1.0 0 0 0 1239.19 1482.56 0.0 1.0 0 0 0 766.28 637.68 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.48526 1.04535 Non-elliptical correction: -0.000131992 0.011096 -0.0110096 0.00159393 Non-Gaussian correction: 0.975193 0.796137 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.190134 mm. Estimated mosaic spread in FWHM is 0.100544 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_019.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0253 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4115 111.6542 -84.8725 Euler angles (radian): 0.3562 1.9487 -1.4813 Missetting matrix: -0.04441799 0.94496337 0.32414699 0.37562093 0.31645600 -0.87107090 -0.92570835 0.08306518 -0.36900436 Goniometer omega, chi, phi(degree): 0.0000 0.0000 6.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.2919 Direct-beam center (pixel): 998.0751 1031.9247 Pixel size (mm): 0.0791999 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1716 -0.2855 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3822 1055 File ./pyp1_019.mccd.pre.spt is written. File ./pyp1_019.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_020.mccd read. File ./pyp1_020.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1412.47 965.10 0.0 1.0 0 0 0 1380.99 824.04 0.0 1.0 0 0 0 900.22 769.79 0.0 1.0 0 0 0 625.76 1337.60 0.0 1.0 0 0 0 1207.28 1371.83 0.0 1.0 0 0 0 766.87 762.27 0.0 1.0 0 0 0 673.53 645.85 0.0 1.0 0 0 0 706.27 778.04 0.0 1.0 0 0 0 1325.10 785.14 0.0 1.0 0 0 0 1366.88 906.42 0.0 1.0 0 0 0 1184.30 744.61 0.0 1.0 0 0 0 653.61 1087.79 0.0 1.0 0 0 0 1129.75 1381.99 0.0 1.0 0 0 0 646.74 724.77 0.0 1.0 0 0 0 591.88 1313.40 0.0 1.0 0 0 0 1204.05 1172.27 0.0 1.0 0 0 0 1388.61 999.98 0.0 1.0 0 0 0 1339.90 719.75 0.0 1.0 0 0 0 945.06 1285.85 0.0 1.0 0 0 0 1096.41 1090.25 0.0 1.0 0 0 0 453.96 1363.72 0.0 1.0 0 0 0 647.01 823.57 0.0 1.0 0 0 0 653.35 1266.03 0.0 1.0 0 0 0 543.21 1001.88 0.0 1.0 0 0 0 1371.04 1115.73 0.0 1.0 0 0 0 1333.29 1015.00 0.0 1.0 0 0 0 572.87 911.17 0.0 1.0 0 0 0 731.24 1189.11 0.0 1.0 0 0 0 948.89 797.50 0.0 1.0 0 0 0 1374.71 1141.69 0.0 1.0 0 0 0 979.80 598.03 0.0 1.0 0 0 0 689.32 926.74 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.5571 1.08021 Non-elliptical correction: 8.1763e-05 -0.0286095 0.00156198 -0.00889628 Non-Gaussian correction: 0.934898 0.79852 Overall spot length is set to 10 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.191971 mm. Estimated mosaic spread in FWHM is 0.103885 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_020.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0242 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4152 111.6620 -84.8673 Euler angles (radian): 0.3563 1.9489 -1.4812 Missetting matrix: -0.04440044 0.94495086 0.32418585 0.37576413 0.31647253 -0.87100313 -0.92565108 0.08314449 -0.36913016 Goniometer omega, chi, phi(degree): 0.0000 0.0000 8.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.3087 Direct-beam center (pixel): 998.0633 1031.9406 Pixel size (mm): 0.0792108 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1829 -0.2788 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.4006 1066 File ./pyp1_020.mccd.pre.spt is written. File ./pyp1_020.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_021.mccd read. File ./pyp1_021.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1129.51 806.47 0.0 1.0 0 0 0 1162.09 984.40 0.0 1.0 0 0 0 1081.45 849.69 0.0 1.0 0 0 0 931.36 1230.89 0.0 1.0 0 0 0 1220.84 743.66 0.0 1.0 0 0 0 1076.65 682.73 0.0 1.0 0 0 0 785.71 907.14 0.0 1.0 0 0 0 1328.76 1013.66 0.0 1.0 0 0 0 1053.91 808.03 0.0 1.0 0 0 0 678.31 973.15 0.0 1.0 0 0 0 1380.75 998.56 0.0 1.0 0 0 0 663.58 1176.91 0.0 1.0 0 0 0 1093.83 1394.68 0.0 1.0 0 0 0 775.81 726.65 0.0 1.0 0 0 0 732.44 927.03 0.0 1.0 0 0 0 786.80 661.52 0.0 1.0 0 0 0 1109.83 1454.72 0.0 1.0 0 0 0 1176.94 1395.59 0.0 1.0 0 0 0 928.05 819.71 0.0 1.0 0 0 0 1278.32 1344.27 0.0 1.0 0 0 0 1443.68 896.24 0.0 1.0 0 0 0 640.44 1109.68 0.0 1.0 0 0 0 1358.65 735.64 0.0 1.0 0 0 0 1488.31 955.85 0.0 1.0 0 0 0 697.00 952.62 0.0 1.0 0 0 0 1148.17 692.01 0.0 1.0 0 0 0 1493.88 818.03 0.0 1.0 0 0 0 1166.83 780.11 0.0 1.0 0 0 0 935.60 521.47 0.0 1.0 0 0 0 1293.82 1328.35 0.0 1.0 0 0 0 1332.66 860.41 0.0 1.0 0 0 0 722.48 820.08 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.43869 1.05271 Non-elliptical correction: -0.00229962 -0.023691 -0.00560297 -0.0186028 Non-Gaussian correction: 0.911665 0.790847 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.196446 mm. Estimated mosaic spread in FWHM is 0.0983476 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_021.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0269 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4190 111.6699 -84.8679 Euler angles (radian): 0.3564 1.9490 -1.4812 Missetting matrix: -0.04447984 0.94493333 0.32422608 0.37587744 0.31652862 -0.87093386 -0.92560126 0.08313027 -0.36925826 Goniometer omega, chi, phi(degree): 0.0000 0.0000 10.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.3020 Direct-beam center (pixel): 998.0830 1031.9465 Pixel size (mm): 0.0792047 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.2103 -0.2876 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3937 1129 File ./pyp1_021.mccd.pre.spt is written. File ./pyp1_021.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_022.mccd read. File ./pyp1_022.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1172.43 1052.35 0.0 1.0 0 0 0 863.69 934.45 0.0 1.0 0 0 0 1230.66 1216.64 0.0 1.0 0 0 0 756.18 842.91 0.0 1.0 0 0 0 1063.27 728.24 0.0 1.0 0 0 0 1020.58 759.16 0.0 1.0 0 0 0 1372.51 997.28 0.0 1.0 0 0 0 1202.64 1305.54 0.0 1.0 0 0 0 1036.01 651.52 0.0 1.0 0 0 0 1057.41 1406.18 0.0 1.0 0 0 0 1220.97 1265.47 0.0 1.0 0 0 0 1156.74 613.76 0.0 1.0 0 0 0 1293.06 1138.88 0.0 1.0 0 0 0 959.48 1478.54 0.0 1.0 0 0 0 820.37 1502.36 0.0 1.0 0 0 0 1178.18 696.34 0.0 1.0 0 0 0 1171.90 906.14 0.0 1.0 0 0 0 1264.83 648.56 0.0 1.0 0 0 0 1227.12 1241.98 0.0 1.0 0 0 0 666.41 793.00 0.0 1.0 0 0 0 537.53 729.97 0.0 1.0 0 0 0 1212.53 1286.57 0.0 1.0 0 0 0 915.02 661.02 0.0 1.0 0 0 0 1345.27 1376.89 0.0 1.0 0 0 0 674.09 995.13 0.0 1.0 0 0 0 1305.98 830.14 0.0 1.0 0 0 0 944.66 720.15 0.0 1.0 0 0 0 825.65 644.01 0.0 1.0 0 0 0 1119.05 597.60 0.0 1.0 0 0 0 990.71 676.53 0.0 1.0 0 0 0 1073.96 657.11 0.0 1.0 0 0 0 960.24 622.06 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.16347 1.0452 Non-elliptical correction: -0.00472256 -0.0101456 -0.00176947 -0.0238933 Non-Gaussian correction: 0.849282 0.77134 Overall spot length is set to 8 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.197446 mm. Estimated mosaic spread in FWHM is 0.0841503 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_022.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0269 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4285 111.6799 -84.8609 Euler angles (radian): 0.3565 1.9492 -1.4811 Missetting matrix: -0.04448330 0.94489123 0.32434827 0.37606021 0.31662608 -0.87081952 -0.92552685 0.08323755 -0.36942057 Goniometer omega, chi, phi(degree): 0.0000 0.0000 12.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.3084 Direct-beam center (pixel): 998.0449 1031.9115 Pixel size (mm): 0.0792015 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1834 -0.2539 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.4138 1057 File ./pyp1_022.mccd.pre.spt is written. File ./pyp1_022.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_023.mccd read. File ./pyp1_023.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1069.47 887.74 0.0 1.0 0 0 0 785.82 863.04 0.0 1.0 0 0 0 1302.24 1226.82 0.0 1.0 0 0 0 1112.42 853.01 0.0 1.0 0 0 0 775.23 1237.56 0.0 1.0 0 0 0 1182.62 1053.41 0.0 1.0 0 0 0 1160.51 1342.67 0.0 1.0 0 0 0 972.56 1453.72 0.0 1.0 0 0 0 771.13 739.23 0.0 1.0 0 0 0 745.75 1211.46 0.0 1.0 0 0 0 1207.46 701.67 0.0 1.0 0 0 0 1195.00 1120.84 0.0 1.0 0 0 0 675.54 825.29 0.0 1.0 0 0 0 701.77 886.61 0.0 1.0 0 0 0 1061.83 699.04 0.0 1.0 0 0 0 1301.61 794.36 0.0 1.0 0 0 0 604.15 1102.99 0.0 1.0 0 0 0 786.96 786.97 0.0 1.0 0 0 0 1001.84 847.66 0.0 1.0 0 0 0 1073.33 595.89 0.0 1.0 0 0 0 602.17 951.46 0.0 1.0 0 0 0 894.75 740.72 0.0 1.0 0 0 0 1146.28 610.58 0.0 1.0 0 0 0 626.72 924.50 0.0 1.0 0 0 0 806.77 731.62 0.0 1.0 0 0 0 1285.34 666.23 0.0 1.0 0 0 0 874.27 1398.29 0.0 1.0 0 0 0 1251.32 1415.20 0.0 1.0 0 0 0 658.56 909.13 0.0 1.0 0 0 0 788.70 641.71 0.0 1.0 0 0 0 1170.57 1324.96 0.0 1.0 0 0 0 1438.01 1142.26 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.10903 0.974528 Non-elliptical correction: -0.00504316 -0.0269245 -0.00935327 -0.0116195 Non-Gaussian correction: 0.872875 0.738162 Overall spot length is set to 8 pixels. Overall spot width is set to 3 pixels. Estimated crystal dimension is 0.194817 mm. Estimated mosaic spread in FWHM is 0.0859472 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_023.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0313 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4339 111.6856 -84.8585 Euler angles (radian): 0.3566 1.9493 -1.4811 Missetting matrix: -0.04451152 0.94486641 0.32441670 0.37615574 0.31669093 -0.87075468 -0.92548667 0.08327259 -0.36951332 Goniometer omega, chi, phi(degree): 0.0000 0.0000 14.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.3049 Direct-beam center (pixel): 998.0729 1031.9396 Pixel size (mm): 0.0791960 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1754 -0.2772 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3759 1116 File ./pyp1_023.mccd.pre.spt is written. File ./pyp1_023.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_024.mccd read. File ./pyp1_024.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 778.67 885.71 0.0 1.0 0 0 0 1152.73 1266.42 0.0 1.0 0 0 0 1228.16 1015.04 0.0 1.0 0 0 0 1271.57 1216.76 0.0 1.0 0 0 0 1068.22 1296.94 0.0 1.0 0 0 0 757.16 827.45 0.0 1.0 0 0 0 919.42 833.20 0.0 1.0 0 0 0 1297.65 964.11 0.0 1.0 0 0 0 1138.73 898.03 0.0 1.0 0 0 0 1197.14 810.11 0.0 1.0 0 0 0 886.33 709.25 0.0 1.0 0 0 0 1200.77 1342.85 0.0 1.0 0 0 0 1348.64 1077.85 0.0 1.0 0 0 0 1061.68 638.46 0.0 1.0 0 0 0 1242.21 664.21 0.0 1.0 0 0 0 1169.35 1003.37 0.0 1.0 0 0 0 1206.62 1318.89 0.0 1.0 0 0 0 1090.68 736.74 0.0 1.0 0 0 0 1311.55 1342.28 0.0 1.0 0 0 0 982.70 653.06 0.0 1.0 0 0 0 763.44 714.97 0.0 1.0 0 0 0 1047.94 1475.80 0.0 1.0 0 0 0 1214.34 849.88 0.0 1.0 0 0 0 734.73 1335.85 0.0 1.0 0 0 0 1327.44 1121.66 0.0 1.0 0 0 0 1374.46 933.23 0.0 1.0 0 0 0 1136.28 1344.52 0.0 1.0 0 0 0 1478.47 969.58 0.0 1.0 0 0 0 1377.19 1175.58 0.0 1.0 0 0 0 1336.79 1218.18 0.0 1.0 0 0 0 1423.11 1280.74 0.0 1.0 0 0 0 488.66 1126.35 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.25184 1.02655 Non-elliptical correction: -0.00289173 -0.0162418 -0.000606679 -0.0221822 Non-Gaussian correction: 0.885768 0.791502 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.189955 mm. Estimated mosaic spread in FWHM is 0.0939558 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_024.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0295 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4411 111.6932 -84.8543 Euler angles (radian): 0.3568 1.9494 -1.4810 Missetting matrix: -0.04453134 0.94483383 0.32450885 0.37628932 0.31677112 -0.87066779 -0.92543142 0.08333721 -0.36963713 Goniometer omega, chi, phi(degree): 0.0000 0.0000 16.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.3111 Direct-beam center (pixel): 998.0533 1031.9455 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.2030 -0.2756 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3964 1062 File ./pyp1_024.mccd.pre.spt is written. File ./pyp1_024.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_025.mccd read. File ./pyp1_025.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1221.85 1014.68 0.0 1.0 0 0 0 1110.66 830.84 0.0 1.0 0 0 0 1114.68 1276.43 0.0 1.0 0 0 0 837.68 735.80 0.0 1.0 0 0 0 798.73 739.53 0.0 1.0 0 0 0 766.19 748.91 0.0 1.0 0 0 0 1297.59 1289.15 0.0 1.0 0 0 0 844.89 795.09 0.0 1.0 0 0 0 928.07 758.23 0.0 1.0 0 0 0 743.39 912.02 0.0 1.0 0 0 0 836.18 973.90 0.0 1.0 0 0 0 1019.29 580.98 0.0 1.0 0 0 0 1083.54 756.37 0.0 1.0 0 0 0 675.29 764.28 0.0 1.0 0 0 0 683.67 927.63 0.0 1.0 0 0 0 1384.68 1150.02 0.0 1.0 0 0 0 807.14 796.02 0.0 1.0 0 0 0 1364.68 899.26 0.0 1.0 0 0 0 1361.09 1077.82 0.0 1.0 0 0 0 881.95 740.98 0.0 1.0 0 0 0 937.43 632.37 0.0 1.0 0 0 0 1065.52 1435.48 0.0 1.0 0 0 0 1168.95 887.24 0.0 1.0 0 0 0 840.81 1060.74 0.0 1.0 0 0 0 1016.50 1260.17 0.0 1.0 0 0 0 1093.76 607.42 0.0 1.0 0 0 0 837.90 686.22 0.0 1.0 0 0 0 1112.02 1308.65 0.0 1.0 0 0 0 1384.89 1212.82 0.0 1.0 0 0 0 886.95 801.85 0.0 1.0 0 0 0 614.34 1055.18 0.0 1.0 0 0 0 899.76 589.42 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.05666 1.03161 Non-elliptical correction: 0.000621956 -0.0159576 0.00377879 -0.0176422 Non-Gaussian correction: 0.780143 0.772182 Overall spot length is set to 8 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.195412 mm. Estimated mosaic spread in FWHM is 0.0882202 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_025.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0299 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4452 111.6977 -84.8531 Euler angles (radian): 0.3568 1.9495 -1.4810 Missetting matrix: -0.04456450 0.94481424 0.32456134 0.37635925 0.31682540 -0.87061782 -0.92540138 0.08335302 -0.36970875 Goniometer omega, chi, phi(degree): 0.0000 0.0000 18.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.3091 Direct-beam center (pixel): 998.0507 1031.9639 Pixel size (mm): 0.0792022 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.2080 -0.2934 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3972 922 File ./pyp1_025.mccd.pre.spt is written. File ./pyp1_025.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_026.mccd read. File ./pyp1_026.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1060.96 1222.72 0.0 1.0 0 0 0 965.13 1299.88 0.0 1.0 0 0 0 1223.04 744.98 0.0 1.0 0 0 0 831.83 760.97 0.0 1.0 0 0 0 795.17 766.17 0.0 1.0 0 0 0 764.03 1182.01 0.0 1.0 0 0 0 920.66 779.17 0.0 1.0 0 0 0 1252.41 1187.45 0.0 1.0 0 0 0 1354.24 962.58 0.0 1.0 0 0 0 680.25 1291.59 0.0 1.0 0 0 0 1303.68 921.60 0.0 1.0 0 0 0 1005.32 663.44 0.0 1.0 0 0 0 878.31 819.47 0.0 1.0 0 0 0 687.75 1269.94 0.0 1.0 0 0 0 990.61 839.80 0.0 1.0 0 0 0 702.52 824.82 0.0 1.0 0 0 0 1335.01 869.11 0.0 1.0 0 0 0 1335.26 1135.59 0.0 1.0 0 0 0 1370.36 1297.18 0.0 1.0 0 0 0 1356.60 1204.75 0.0 1.0 0 0 0 1254.72 770.82 0.0 1.0 0 0 0 1215.53 1014.26 0.0 1.0 0 0 0 761.36 855.19 0.0 1.0 0 0 0 970.53 594.03 0.0 1.0 0 0 0 840.42 680.22 0.0 1.0 0 0 0 672.19 878.23 0.0 1.0 0 0 0 1073.89 1319.14 0.0 1.0 0 0 0 934.39 1393.12 0.0 1.0 0 0 0 1324.22 1250.82 0.0 1.0 0 0 0 1218.72 786.06 0.0 1.0 0 0 0 1218.01 1343.35 0.0 1.0 0 0 0 641.06 837.33 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.14304 1.04964 Non-elliptical correction: -0.00242135 -0.022744 -0.00941842 -0.0216125 Non-Gaussian correction: 0.867932 0.805928 Overall spot length is set to 8 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.212673 mm. Estimated mosaic spread in FWHM is 0.0853811 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_026.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0303 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4511 111.7037 -84.8500 Euler angles (radian): 0.3569 1.9496 -1.4809 Missetting matrix: -0.04458612 0.94478702 0.32463760 0.37646292 0.31689429 -0.87054792 -0.92535817 0.08339967 -0.36980636 Goniometer omega, chi, phi(degree): 0.0000 0.0000 20.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.3192 Direct-beam center (pixel): 998.0345 1031.9601 Pixel size (mm): 0.0792016 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.2158 -0.3009 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3943 1007 File ./pyp1_026.mccd.pre.spt is written. File ./pyp1_026.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_027.mccd read. File ./pyp1_027.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1036.76 1328.35 0.0 1.0 0 0 0 798.78 1336.51 0.0 1.0 0 0 0 1176.35 1492.61 0.0 1.0 0 0 0 821.91 826.39 0.0 1.0 0 0 0 914.58 752.05 0.0 1.0 0 0 0 839.47 1338.69 0.0 1.0 0 0 0 827.23 739.30 0.0 1.0 0 0 0 1027.31 827.87 0.0 1.0 0 0 0 791.24 745.86 0.0 1.0 0 0 0 1182.96 1468.25 0.0 1.0 0 0 0 909.63 789.71 0.0 1.0 0 0 0 708.60 1074.01 0.0 1.0 0 0 0 691.12 842.61 0.0 1.0 0 0 0 877.62 710.73 0.0 1.0 0 0 0 1301.68 1303.39 0.0 1.0 0 0 0 808.67 1311.61 0.0 1.0 0 0 0 1000.41 669.05 0.0 1.0 0 0 0 1316.64 1157.23 0.0 1.0 0 0 0 816.33 1404.38 0.0 1.0 0 0 0 1292.65 1242.18 0.0 1.0 0 0 0 1143.52 795.22 0.0 1.0 0 0 0 865.94 1381.66 0.0 1.0 0 0 0 1104.36 1481.15 0.0 1.0 0 0 0 1250.77 864.45 0.0 1.0 0 0 0 1320.99 1193.94 0.0 1.0 0 0 0 1268.37 1061.28 0.0 1.0 0 0 0 836.30 708.09 0.0 1.0 0 0 0 1118.41 1433.50 0.0 1.0 0 0 0 1315.77 799.56 0.0 1.0 0 0 0 1304.98 979.73 0.0 1.0 0 0 0 1202.77 1073.14 0.0 1.0 0 0 0 693.73 709.85 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.00011 1.01807 Non-elliptical correction: -0.00252263 -0.0175433 -0.0149905 -0.0165624 Non-Gaussian correction: 0.804995 0.787059 Overall spot length is set to 8 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.200741 mm. Estimated mosaic spread in FWHM is 0.0771257 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_027.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0313 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4612 111.7103 -84.8460 Euler angles (radian): 0.3571 1.9497 -1.4808 Missetting matrix: -0.04462390 0.94473773 0.32477582 0.37657692 0.31702528 -0.87045091 -0.92530997 0.08346017 -0.36991333 Goniometer omega, chi, phi(degree): 0.0000 0.0000 22.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.3115 Direct-beam center (pixel): 998.0357 1031.9607 Pixel size (mm): 0.0791950 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.2222 -0.2861 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.394 1014 File ./pyp1_027.mccd.pre.spt is written. File ./pyp1_027.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_028.mccd read. File ./pyp1_028.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1137.92 1065.61 0.0 1.0 0 0 0 860.31 941.84 0.0 1.0 0 0 0 1349.01 799.74 0.0 1.0 0 0 0 700.96 1261.76 0.0 1.0 0 0 0 1219.11 1076.01 0.0 1.0 0 0 0 801.96 883.12 0.0 1.0 0 0 0 777.12 892.01 0.0 1.0 0 0 0 1014.73 917.07 0.0 1.0 0 0 0 772.34 799.18 0.0 1.0 0 0 0 1289.40 1362.01 0.0 1.0 0 0 0 1317.40 934.05 0.0 1.0 0 0 0 765.85 994.16 0.0 1.0 0 0 0 1465.08 1085.37 0.0 1.0 0 0 0 1104.38 821.46 0.0 1.0 0 0 0 586.49 1135.11 0.0 1.0 0 0 0 495.53 1130.28 0.0 1.0 0 0 0 625.83 921.65 0.0 1.0 0 0 0 1102.13 1376.95 0.0 1.0 0 0 0 1140.55 1261.58 0.0 1.0 0 0 0 1377.69 1007.88 0.0 1.0 0 0 0 960.93 1485.82 0.0 1.0 0 0 0 1279.86 1303.48 0.0 1.0 0 0 0 626.03 1197.51 0.0 1.0 0 0 0 1238.26 1457.83 0.0 1.0 0 0 0 1460.27 1151.48 0.0 1.0 0 0 0 1339.95 921.68 0.0 1.0 0 0 0 684.63 1290.34 0.0 1.0 0 0 0 856.24 751.67 0.0 1.0 0 0 0 747.88 812.38 0.0 1.0 0 0 0 1251.73 723.72 0.0 1.0 0 0 0 1421.95 1300.41 0.0 1.0 0 0 0 1101.98 791.89 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.33521 1.06786 Non-elliptical correction: -0.00215591 -0.0311916 -0.00364911 -0.0110101 Non-Gaussian correction: 0.905102 0.821383 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.197099 mm. Estimated mosaic spread in FWHM is 0.0989643 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_028.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0294 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4655 111.7163 -84.8469 Euler angles (radian): 0.3572 1.9498 -1.4809 Missetting matrix: -0.04470038 0.94471634 0.32482752 0.37665962 0.31709363 -0.87039023 -0.92527261 0.08344263 -0.37001070 Goniometer omega, chi, phi(degree): 0.0000 0.0000 24.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.3197 Direct-beam center (pixel): 998.0376 1031.9758 Pixel size (mm): 0.0792016 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.2384 -0.2870 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.3824 993 File ./pyp1_028.mccd.pre.spt is written. File ./pyp1_028.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_029.mccd read. File ./pyp1_029.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1100.54 764.82 0.0 1.0 0 0 0 1227.48 971.03 0.0 1.0 0 0 0 1072.05 1219.22 0.0 1.0 0 0 0 1073.38 1370.12 0.0 1.0 0 0 0 1327.87 1132.61 0.0 1.0 0 0 0 1163.99 1452.89 0.0 1.0 0 0 0 1391.86 1161.93 0.0 1.0 0 0 0 721.57 706.46 0.0 1.0 0 0 0 646.02 842.19 0.0 1.0 0 0 0 1200.46 828.26 0.0 1.0 0 0 0 1209.36 858.64 0.0 1.0 0 0 0 1371.51 1006.32 0.0 1.0 0 0 0 1278.19 1080.37 0.0 1.0 0 0 0 1476.73 1083.80 0.0 1.0 0 0 0 1060.80 817.50 0.0 1.0 0 0 0 1357.83 1181.72 0.0 1.0 0 0 0 966.64 1480.50 0.0 1.0 0 0 0 727.71 1326.65 0.0 1.0 0 0 0 1241.29 845.86 0.0 1.0 0 0 0 1097.99 677.95 0.0 1.0 0 0 0 941.44 615.91 0.0 1.0 0 0 0 1274.14 870.80 0.0 1.0 0 0 0 921.58 1371.97 0.0 1.0 0 0 0 1283.69 1248.65 0.0 1.0 0 0 0 1374.78 1224.74 0.0 1.0 0 0 0 1332.95 1240.04 0.0 1.0 0 0 0 985.59 704.47 0.0 1.0 0 0 0 1203.50 943.01 0.0 1.0 0 0 0 900.97 1308.90 0.0 1.0 0 0 0 1168.28 878.52 0.0 1.0 0 0 0 1407.44 867.09 0.0 1.0 0 0 0 947.77 1419.02 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.3527 1.02422 Non-elliptical correction: -0.0117368 -0.0142232 -0.0145303 -0.0132946 Non-Gaussian correction: 0.876667 0.766121 Overall spot length is set to 9 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.195388 mm. Estimated mosaic spread in FWHM is 0.0944024 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_029.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0343 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4741 111.7220 -84.8403 Euler angles (radian): 0.3573 1.9499 -1.4807 Missetting matrix: -0.04468019 0.94467679 0.32494530 0.37677643 0.31718416 -0.87030669 -0.92522603 0.08354626 -0.37010379 Goniometer omega, chi, phi(degree): 0.0000 0.0000 26.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.3069 Direct-beam center (pixel): 998.0549 1031.9910 Pixel size (mm): 0.0791965 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.2372 -0.2911 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.4098 973 File ./pyp1_029.mccd.pre.spt is written. File ./pyp1_029.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_030.mccd read. File ./pyp1_030.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1340.39 1148.41 0.0 1.0 0 0 0 682.27 883.78 0.0 1.0 0 0 0 1277.10 805.02 0.0 1.0 0 0 0 1402.94 1176.15 0.0 1.0 0 0 0 1055.43 709.37 0.0 1.0 0 0 0 795.07 950.28 0.0 1.0 0 0 0 842.71 998.71 0.0 1.0 0 0 0 1374.28 1196.79 0.0 1.0 0 0 0 779.58 875.55 0.0 1.0 0 0 0 1082.49 1205.19 0.0 1.0 0 0 0 1304.71 1165.95 0.0 1.0 0 0 0 1088.65 856.83 0.0 1.0 0 0 0 1165.01 721.13 0.0 1.0 0 0 0 653.70 1297.43 0.0 1.0 0 0 0 615.24 894.77 0.0 1.0 0 0 0 637.38 817.26 0.0 1.0 0 0 0 978.87 787.24 0.0 1.0 0 0 0 1365.10 1004.81 0.0 1.0 0 0 0 616.12 938.93 0.0 1.0 0 0 0 711.12 658.62 0.0 1.0 0 0 0 821.99 838.59 0.0 1.0 0 0 0 1452.50 758.60 0.0 1.0 0 0 0 903.17 744.49 0.0 1.0 0 0 0 1092.80 752.79 0.0 1.0 0 0 0 1207.24 796.05 0.0 1.0 0 0 0 765.22 692.84 0.0 1.0 0 0 0 1395.89 1240.03 0.0 1.0 0 0 0 1279.58 518.02 0.0 1.0 0 0 0 1064.08 1438.48 0.0 1.0 0 0 0 1193.33 1364.53 0.0 1.0 0 0 0 551.63 1125.13 0.0 1.0 0 0 0 1199.54 1110.48 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.05359 1.06732 Non-elliptical correction: -0.00187864 -0.0355874 -0.0116487 -0.0177103 Non-Gaussian correction: 0.784001 0.80883 Overall spot length is set to 8 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.20633 mm. Estimated mosaic spread in FWHM is 0.0862152 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_030.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0307 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4802 111.7266 -84.8380 Euler angles (radian): 0.3574 1.9500 -1.4807 Missetting matrix: -0.04470917 0.94464689 0.32502822 0.37685404 0.31726422 -0.87024390 -0.92519302 0.08358031 -0.37017861 Goniometer omega, chi, phi(degree): 0.0000 0.0000 28.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.3170 Direct-beam center (pixel): 998.0537 1031.9945 Pixel size (mm): 0.0792023 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.1983 -0.2879 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.42 944 File ./pyp1_030.mccd.pre.spt is written. File ./pyp1_030.mccd.inp is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_031.mccd read. File ./pyp1_031.mccd.re.spt is written. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 0 0 0 1166.60 1127.65 0.0 1.0 0 0 0 1358.09 1003.44 0.0 1.0 0 0 0 1012.06 804.50 0.0 1.0 0 0 0 1333.30 1063.20 0.0 1.0 0 0 0 711.39 923.40 0.0 1.0 0 0 0 846.71 741.01 0.0 1.0 0 0 0 1048.78 851.80 0.0 1.0 0 0 0 1012.02 735.72 0.0 1.0 0 0 0 706.12 965.27 0.0 1.0 0 0 0 1191.69 1213.89 0.0 1.0 0 0 0 613.90 827.37 0.0 1.0 0 0 0 1309.80 1101.42 0.0 1.0 0 0 0 816.74 816.05 0.0 1.0 0 0 0 744.53 1150.88 0.0 1.0 0 0 0 613.21 1083.55 0.0 1.0 0 0 0 1172.21 714.14 0.0 1.0 0 0 0 1348.63 976.26 0.0 1.0 0 0 0 1434.91 1185.07 0.0 1.0 0 0 0 970.91 859.20 0.0 1.0 0 0 0 974.97 1369.03 0.0 1.0 0 0 0 1052.48 702.99 0.0 1.0 0 0 0 850.99 811.18 0.0 1.0 0 0 0 1060.52 1478.18 0.0 1.0 0 0 0 1295.42 875.84 0.0 1.0 0 0 0 795.79 644.66 0.0 1.0 0 0 0 686.54 823.87 0.0 1.0 0 0 0 1084.94 646.06 0.0 1.0 0 0 0 1236.11 1134.59 0.0 1.0 0 0 0 1210.38 1324.18 0.0 1.0 0 0 0 1223.25 1605.61 0.0 1.0 0 0 0 663.66 1066.22 0.0 1.0 0 0 0 1275.42 780.24 0.0 1.0 32 sample spots are used to find an average profile. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| An overall mean profile is recognized. Semi-major & -minor axes (pixel): 2.1945 1.07455 Non-elliptical correction: -0.010938 -0.0111264 -0.00691589 -0.01486 Non-Gaussian correction: 0.861793 0.811906 Overall spot length is set to 8 pixels. Overall spot width is set to 4 pixels. Estimated crystal dimension is 0.209631 mm. Estimated mosaic spread in FWHM is 0.0859266 degree. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after geometric refinement Title: pyp1_031.mccd Cell lengths (Angstrom): 66.9000 66.9000 41.0352 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4909 111.7307 -84.8350 Euler angles (radian): 0.3576 1.9501 -1.4806 Missetting matrix: -0.04475209 0.94459228 0.32518099 0.37692359 0.31741449 -0.87015898 -0.92516261 0.08362695 -0.37024408 Goniometer omega, chi, phi(degree): 0.0000 0.0000 30.0000 Omega-axis polar orientation (deg): -90.0000 0.0000 Detector type: flat Crystal-to-detector distance (mm): 100.3043 Direct-beam center (pixel): 998.0463 1032.0105 Pixel size (mm): 0.0791924 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): -0.2365 -0.3036 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 0.4042 986 File ./pyp1_031.mccd.pre.spt is written. File ./pyp1_031.mccd.inp is written. Precognition: Input I: File & keyboard input (e.g., image & parameters) Dataset D: Process data set Quit Q: Exit Precognition (default) Precognition: Quit