2.3 Data File Formats

As in all uwxafs3.0[9] data analysis programs, there are two options for the format of the data files. The data may be in either a specially formatted binary file known as a UWXAFS binary file (also called an RDF file), or in a formatted ASCII column file. More information on these file formats, including the format specifications and a discussion of the relative merits of the two file formats can be found in the uwxafs3.0 reference document on data files [10]. The two file handling formats can be mixed, so that the input data can be in the UWXAFS format and the output data can be in the ASCII format, or vice versa.

If the input data are in UWXAFS format, it must be in a file with file type `XMU'. Both the file name and record key (either nkey or skey) must be specified for the input. If the input data are in ASCII format, it must contain $\ensuremath{\mu(E)}$ data for exactly one scan in column format, with the first column containing energy in eV, and the second column containing the measured absorption coefficient. Raw data from a synchrotron must be converted before giving it to autobk, and as there is no common format for such data, you'll have to do this yourself. If you find this requirement a hardship, contact us and we may be able to help. The example file cu10k.dat is an example of an ASCII column data file that contains $\ensuremath{\mu(E)}$ . See the document on data files [10] for further formatting details.

Outputs files will be written to files with names that depend on the contents of the file, the output file format (UWXAFS or ASCII), and the user-chosen name. If the output file name is specified by out = test in autobk.inp, the output files will be named according to the Table 1. Note that the suffix depends on the type of data written. For ASCII data files, the last letter of the prefix gives the abscissa of the data.

**Table 1:** Names of Output Files generated by `autobk`.
Contents	2c\|filename	file type	keyword in
of File	1c(ascii)	(uwxafs)		`autobk.inp`
data $\ensuremath{\chi(k)}$	`testk.chi`	`test.chi`	chi	-
$\ensuremath{\mu_{0}(E)}$	`teste.bkg`	`test.bkg`	xmu	`bkgout`
$\ensuremath{\mu_{0}(k)}$	`testk.bkg`	`test.chi`	chi	`bkgksp`
standard $\ensuremath{\chi(k)}$	`testk.stn`	`test.chi`	chi	`theksp`
standard $\ensuremath{\tilde\chi(R)}$	`testr.stn`	`test.rsp`	rsp	`thersp`
data $\ensuremath{\tilde\chi(R)}$	`testr.dat`	`test.rsp`	rsp	`datrsp`