_ |_) | recognition Release T5.1.5 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 0.18.20080207 |||\\ Renz Research, Inc. Precognition: Input I: File & keyboard input (e.g., image & parameters) Quit Q: Exit Precognition (default) Precognition: Script file "index.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: 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: @ pyp.inp Script file "pyp.inp" is opened for 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 66.9 66.9 40.8 90 90 120 173 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: Script file is closed. 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 ______ | )_ | 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 997.5 1031.8 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Direct-beam center is set to 997.5, 1031.8 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 0.0792 0.0792 ______ | )_ | 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: Omega -90 0 ______ | )_ | 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: Goniometer 0 0 -30 ______ | )_ | 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: Image images/pyp1_001.mccd ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Image MARCCD165 selected. File images/pyp1_001.mccd read. Precognition:Input: Format F: Image format (f [esrf]) Center C: Normal projection (c 50 50 normal) 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 2.2 100 Precognition:Input: Format F: Image format (f [esrf]) Center C: Normal projection (c 50 50 normal) 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 1.4 1.1 Precognition:Input: Format F: Image format (f [esrf]) Center C: Normal projection (c 50 50 normal) 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) Output O: Save result in files Spot S: Spot recognition (e.g., s file) Dataset D: Process data set Quit Q: Exit Precognition (default) Precognition: Precognition: Input I: File & keyboard input (e.g., image & parameters) Output O: Save result in files Spot S: Spot recognition (e.g., s file) Dataset D: Process data set Quit Q: Exit Precognition (default) Precognition: Spot 10 4 5.8 pyp1_001.re.spt File pyp1_001.re.spt is overwritten. Precognition: Input I: File & keyboard input (e.g., image & parameters) Output O: Save result in files Spot S: Spot recognition (e.g., s file) Profile F: Spot profile (e.g., f file) Ellipse E: Ellipse recognition Limits L: Soft limits Dataset D: Process data set Quit Q: Exit Precognition (default) Precognition: Ellipse ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 16 Ellipses Selected 0 0 0 634.35 668.75 173593.5 226.3 0 0 0 1433.87 1086.48 158246.0 209.4 0 0 0 1245.01 647.55 139130.5 217.6 0 0 0 1127.10 334.95 117149.5 170.2 0 0 0 1330.59 1276.92 110454.4 169.9 0 0 0 1296.84 1311.00 121459.8 207.3 0 0 0 923.83 480.09 81731.0 124.8 0 0 0 1281.70 1422.91 82567.1 148.6 0 0 0 1724.58 604.12 77051.4 142.9 0 0 0 1411.99 635.16 75262.4 140.9 0 0 0 1258.04 1422.05 87537.1 191.8 0 0 0 1068.10 659.06 86874.7 189.5 0 0 0 682.27 1534.34 80881.5 165.7 0 0 0 1332.91 1305.75 88695.7 205.9 0 0 0 336.51 841.01 83881.1 186.2 0 0 0 1200.86 1538.91 90086.0 228.2 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Offset to direct-beam center found by quasi-random walk-around: (0.909667,0.0244048) ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Direct-beam center is set to 998.393, 1031.82 in pixel. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 16 Ellipses Recognized 0 0 0 1725.03 602.84 0.0 1.0 0 0 0 336.83 842.32 0.0 1.0 0 0 0 1126.24 334.62 0.0 1.0 0 0 0 1434.22 1086.80 0.0 1.0 0 0 0 1200.38 1539.15 0.0 1.0 0 0 0 634.38 669.28 0.0 1.0 0 0 0 922.65 480.44 0.0 1.0 0 0 0 681.91 1533.81 0.0 1.0 0 0 0 1244.25 646.88 0.0 1.0 0 0 0 1296.24 1311.51 0.0 1.0 0 0 0 1411.77 634.53 0.0 1.0 0 0 0 1065.13 658.56 0.0 1.0 0 0 0 1330.56 1278.38 0.0 1.0 0 0 0 1326.65 1307.02 0.0 1.0 0 0 0 1281.22 1426.26 0.0 1.0 0 0 0 1257.43 1422.64 0.0 1.0 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 46 Nodals Recognized (Ordered by Rank) ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Center (pixel) Intensity Sigma(I) _________________ __________ __________ 0 0 0 1359.57 1223.97 86190.6 457.9 0 0 0 1330.02 1084.13 32362.6 324.0 0 0 0 983.58 662.41 101305.2 490.6 0 0 0 1219.50 843.15 36353.3 329.6 0 0 0 728.37 609.65 38352.3 323.6 0 0 0 1342.79 882.47 62925.0 402.4 0 0 0 1073.88 1452.96 47847.0 363.3 0 0 0 1114.59 1374.76 15876.0 268.8 0 0 0 1156.76 950.08 155856.6 574.8 0 0 0 1256.32 972.47 2867.9 193.6 0 0 0 950.05 1121.31 53201.1 386.2 0 0 0 927.02 724.76 1846.1 244.0 0 0 0 998.22 1033.35 129.0 64.9 0 0 0 1279.21 999.30 462.0 195.3 0 0 0 1201.12 1000.18 911.4 192.6 0 0 0 1293.63 418.76 10273.3 196.7 0 0 0 1400.67 623.01 27573.4 276.0 0 0 0 968.09 1064.40 374.3 148.1 0 0 0 1427.85 1002.39 21831.9 272.5 0 0 0 1149.64 557.38 5893.3 227.2 0 0 0 1200.11 625.74 6936.9 220.1 0 0 0 1367.04 1302.41 16884.4 252.5 0 0 0 1058.17 1354.13 129468.6 550.9 0 0 0 1093.31 514.99 538.1 190.0 0 0 0 955.98 1381.03 200678.3 651.7 0 0 0 664.86 1051.75 9787.5 240.1 0 0 0 1130.97 1258.50 20055.1 267.2 0 0 0 548.28 1249.18 289.8 185.1 0 0 0 951.77 757.22 1051.2 229.0 0 0 0 996.33 1534.82 112.7 61.9 0 0 0 1066.63 900.36 9671.9 206.0 0 0 0 1354.37 1186.44 511.8 201.5 0 0 0 1280.48 1320.78 490.5 200.0 0 0 0 833.66 1228.60 340.6 192.3 0 0 0 1161.29 1021.84 739.0 187.2 0 0 0 1100.20 1145.93 615.1 167.3 0 0 0 1298.08 1094.16 339.8 227.5 0 0 0 1218.48 1045.06 491.6 194.7 0 0 0 911.72 1088.40 1874.8 185.4 0 0 0 815.50 989.50 704.9 167.7 0 0 0 1060.77 1015.39 2680.6 156.1 0 0 0 890.50 992.83 550.9 176.7 0 0 0 1115.61 1013.53 915.8 181.3 0 0 0 907.75 1176.43 355.4 187.1 0 0 0 1002.27 995.53 516.2 141.4 0 0 0 1050.18 1075.69 350.0 167.5 Precognition: Input I: File & keyboard input (e.g., image & parameters) Output O: Save result in files Spot S: Spot recognition (e.g., s file) Profile F: Spot profile (e.g., f file) Ellipse E: Ellipse recognition Pattern P: Pattern recognition Limits L: Soft limits Dataset D: Process data set Quit Q: Exit Precognition (default) Precognition: Pattern 5 pyp1_001.pre.spt ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after initial refinement Title: images/pyp1_001.mccd Cell lengths (Angstrom): 66.9000 66.9000 40.8000 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 46.4818 117.1468 117.7911 Euler angles (radian): 0.8113 2.0446 2.0558 Missetting matrix: -0.02834919 -0.76342619 0.64527264 -0.61604596 -0.49502362 -0.61273076 0.78719991 -0.41488802 -0.45627210 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): 100.0000 Direct-beam center (pixel): 998.3930 1031.8162 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): 0.0000 0.0000 Detector bulge corrections (10^-12): 0 0 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after initial refinement Title: images/pyp1_001.mccd Cell lengths (Angstrom): 66.9000 66.9000 40.8000 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 73.0070 101.5280 -52.7129 Euler angles (radian): 1.2742 1.7720 -0.9200 Missetting matrix: 0.02499277 0.34830493 0.93704804 0.62582866 0.72549047 -0.28636002 -0.77956004 0.59358845 -0.19984719 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): 100.0000 Direct-beam center (pixel): 998.3930 1031.8162 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): 0.0000 0.0000 Detector bulge corrections (10^-12): 0 0 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after initial refinement Title: images/pyp1_001.mccd Cell lengths (Angstrom): 66.9000 66.9000 40.8000 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3991 111.4499 -84.9200 Euler angles (radian): 0.3560 1.9452 -1.4821 Missetting matrix: -0.04396960 0.94489199 0.32441609 0.37227126 0.31683941 -0.87236856 -0.92708186 0.08241309 -0.36568744 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): 100.0000 Direct-beam center (pixel): 998.3930 1031.8162 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): 0.0000 0.0000 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 2.653 605 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after initial refinement Title: images/pyp1_001.mccd Cell lengths (Angstrom): 66.9000 66.9000 40.8000 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3830 111.4740 -84.9255 Euler angles (radian): 0.3558 1.9456 -1.4822 Missetting matrix: -0.04409097 0.94498923 0.32411623 0.37261944 0.31657587 -0.87231558 -0.92693621 0.08231077 -0.36607950 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): 100.0000 Direct-beam center (pixel): 998.3930 1031.8162 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): 0.0000 0.0000 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 2.855 631 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after initial refinement Title: images/pyp1_001.mccd Cell lengths (Angstrom): 66.9000 66.9000 40.8000 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3747 111.4710 -84.9321 Euler angles (radian): 0.3556 1.9455 -1.4823 Missetting matrix: -0.04412813 0.94502819 0.32399757 0.37254346 0.31648662 -0.87238042 -0.92696498 0.08220666 -0.36603003 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): 100.0000 Direct-beam center (pixel): 998.3930 1031.8162 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): 0.0000 0.0000 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 2.803 584 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after initial refinement Title: images/pyp1_001.mccd Cell lengths (Angstrom): 66.9000 66.9000 40.8000 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4120 111.4379 -84.9195 Euler angles (radian): 0.3563 1.9450 -1.4821 Missetting matrix: -0.04397746 0.94481500 0.32463919 0.37208200 0.31706507 -0.87236731 -0.92715747 0.08242790 -0.36549237 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): 100.0000 Direct-beam center (pixel): 998.3930 1031.8162 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): 0.0000 0.0000 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 2.448 570 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after initial refinement Title: images/pyp1_001.mccd Cell lengths (Angstrom): 66.9000 66.9000 40.8000 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): -90.7787 58.4593 110.8492 Euler angles (radian): -1.5844 1.0203 1.9347 Missetting matrix: 0.49364303 -0.17346015 -0.85219020 0.34923307 0.93696431 0.01158251 0.79646269 -0.30333063 0.52310392 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): 100.0000 Direct-beam center (pixel): 998.3930 1031.8162 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): 0.0000 0.0000 Detector bulge corrections (10^-12): 0 0 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| Cell constants, lattice orientation, goniometer setting, and detector parameters: after initial refinement Title: images/pyp1_001.mccd Cell lengths (Angstrom): 66.9000 66.9000 40.8000 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 157.8703 126.5050 138.2417 Euler angles (radian): 2.7554 2.2079 2.4128 Missetting matrix: 0.84025590 0.44976021 0.30279660 0.08600000 -0.66195692 0.74459186 0.53532610 -0.59960719 -0.59489258 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): 100.0000 Direct-beam center (pixel): 998.3930 1031.8162 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): 0.0000 0.0000 Detector bulge corrections (10^-12): 0 0 R.M.S.D. in pixel & matched spots: 2.801 253 ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| 5 possible crystal orientations are recognized; corresponding cell constants and detector parameters are refined. Indexing 1 R.M.S. deviation (pixel): 2.44762 Number of spots matched: 570 Cell lengths (Angstrom): 66.9000 66.9000 40.8000 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.4120 111.4379 -84.9195 Euler angles (radian): 0.3563 1.9450 -1.4821 Missetting matrix: -0.04397746 0.94481500 0.32463919 0.37208200 0.31706507 -0.87236731 -0.92715747 0.08242790 -0.36549237 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): 100.0000 Direct-beam center (pixel): 998.3930 1031.8162 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): 0.0000 0.0000 Detector bulge corrections (10^-12): 0 0 Indexing 2 R.M.S. deviation (pixel): 2.653 Number of spots matched: 605 Cell lengths (Angstrom): 66.9000 66.9000 40.8000 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3991 111.4499 -84.9200 Euler angles (radian): 0.3560 1.9452 -1.4821 Missetting matrix: -0.04396960 0.94489199 0.32441609 0.37227126 0.31683941 -0.87236856 -0.92708186 0.08241309 -0.36568744 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): 100.0000 Direct-beam center (pixel): 998.3930 1031.8162 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): 0.0000 0.0000 Detector bulge corrections (10^-12): 0 0 Indexing 3 R.M.S. deviation (pixel): 2.855 Number of spots matched: 631 Cell lengths (Angstrom): 66.9000 66.9000 40.8000 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3830 111.4740 -84.9255 Euler angles (radian): 0.3558 1.9456 -1.4822 Missetting matrix: -0.04409097 0.94498923 0.32411623 0.37261944 0.31657587 -0.87231558 -0.92693621 0.08231077 -0.36607950 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): 100.0000 Direct-beam center (pixel): 998.3930 1031.8162 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): 0.0000 0.0000 Detector bulge corrections (10^-12): 0 0 Indexing 4 R.M.S. deviation (pixel): 2.803 Number of spots matched: 584 Cell lengths (Angstrom): 66.9000 66.9000 40.8000 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 20.3747 111.4710 -84.9321 Euler angles (radian): 0.3556 1.9455 -1.4823 Missetting matrix: -0.04412813 0.94502819 0.32399757 0.37254346 0.31648662 -0.87238042 -0.92696498 0.08220666 -0.36603003 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): 100.0000 Direct-beam center (pixel): 998.3930 1031.8162 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): 0.0000 0.0000 Detector bulge corrections (10^-12): 0 0 Indexing 5 R.M.S. deviation (pixel): 2.801 Number of spots matched: 253 Cell lengths (Angstrom): 66.9000 66.9000 40.8000 Cell angles (degree): 90.0000 90.0000 120.0000 Euler angles (degree): 157.8703 126.5050 138.2417 Euler angles (radian): 2.7554 2.2079 2.4128 Missetting matrix: 0.84025590 0.44976021 0.30279660 0.08600000 -0.66195692 0.74459186 0.53532610 -0.59960719 -0.59489258 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): 100.0000 Direct-beam center (pixel): 998.3930 1031.8162 Pixel size (mm): 0.0792000 0.0792000 Detector swing angles (degree): 0.0000 0.0000 Detector tilt angles (degree): 0.0000 0.0000 Detector bulge corrections (10^-12): 0 0 File pyp1_001.pre.spt is overwritten. File pyp1_001.pre.spt.inp is overwritten. File 1_pyp1_001.pre.spt is overwritten. File 1_pyp1_001.pre.spt.inp is overwritten. File 2_pyp1_001.pre.spt is overwritten. File 2_pyp1_001.pre.spt.inp is overwritten. File 3_pyp1_001.pre.spt is overwritten. File 3_pyp1_001.pre.spt.inp is overwritten. File 4_pyp1_001.pre.spt is overwritten. File 4_pyp1_001.pre.spt.inp is overwritten. ______ | )_ | Report | | ------ | | ------ | | ------ | | ---- | |________| One of the 6 equivalent missetting matrices are selected. This matrix is 111.498 degrees away from the input matrix. Input matrix: 1,-0,0 0,1,-0 0,0,1 Selected matrix: 0.796245,0.510493,0.324639 0.460627,-0.1637,-0.872367 -0.392194,0.844156,-0.365492 Precognition: Input I: File & keyboard input (e.g., image & parameters) Output O: Save result in files Spot S: Spot recognition (e.g., s file) Profile F: Spot profile (e.g., f file) Ellipse E: Ellipse recognition Pattern P: Pattern recognition Limits L: Soft limits Dataset D: Process data set Quit Q: Exit Precognition (default) Precognition: Quit