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© ATSAS Team, 2011-2012
Table of Contents
The following sections shortly describe
how to run DATREGRID from the command-line on any of the supported platforms, the required input and the produced output files.
DATREGRID is a tool to modify the angular grid of SAXS data files. Available modifications are
changing the grid using another data file as a template,
scaling of the grid,
complete replacement of the grid with a new one.
Possible usage of DATREGRID would be the preparation of SAXS and WAXS data files for merging, correction of angular units and replacement of inconsistent angular grid.
$ datregrid [OPTIONS] <FILE>
OPTIONS known by DATREGRID are described in next section, the required argument FILE in the section on input files.
DATREGRID requires one command line argument
FILE which is a data filename, possibly with relative or absolute path components. Instead of a filename, the FILE argument may be '-' to read data from stdin.
DATREGRID recognizes following command-line options:
Short option Long option Description
--join <N> Join every N points by averaging.
--template <FILE> Change grid of the parent .dat file using
FILE as template. Grid will be changed on the overlaying interval.
--scale <FACTOR> Scale the angular axis by
--replace <FILE> Replace input s-axis by the one read from
--output <FILE> Relative or absolute path to save the result; if not specified, the result is printed to
--version Print version information and exit.
--help Print a summary of arguments and options and exit.
FILE shall contain three columns: scattering vector, experimental intensity, experimental errors.
The produced output file contains three columns with the original data transformed to the new angular grid.
bsa_beg.dat and bsa_end.dat for merging using template.dat as a template and merging them with DATMERGE. $ datregrid bsa_beg.dat -t template.dat -o bsa_beg_regrided.dat
$ datregrid bsa_end.dat -t template.dat -o bsa_end_regrided.dat
$ datmerge bsa_beg_regrided.dat bsa_end_regrided.dat -o bsa_regrided_merged
Changing angular units of the SAXS data file from inverse Angstroms to inverse nanometres.
$ datregrid bsa_angstrom.dat -s 10 -o bsa_nm.dat
Replace s-axis of SAXS data file with the new one.
$ datregrid bsa.dat -r new_axis.dat -o bsa_new_axis.dat