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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.

Running datregrid


$ datregrid [OPTIONS] <FILE>

OPTIONS known by DATREGRID are described in next section, the required argument FILE in the section on input files.

Command-line arguments and options

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 optionLong optionDescription
-j --join <N> Join every N points by averaging.
-t --template <FILE> Change grid of the parent .dat file using FILE as template. Grid will be changed on the overlaying interval.
-s --scale <FACTOR> Scale the angular axis by FACTOR.
-r --replace <FILE> Replace input s-axis by the one read from FILE.
-o --output <FILE> Relative or absolute path to save the result; if not specified, the result is printed to stdout.
-v --version Print version information and exit.
-h --help Print a summary of arguments and options and exit.

datregrid input files

The FILE shall contain three columns: scattering vector, experimental intensity, experimental errors.

datregrid output files

The produced output file contains three columns with the original data transformed to the new angular grid.


Preparation of 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

  Last modified: April 11, 2013

© BioSAXS group 2013