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Table of Contents
The following sections shortly describe
how to run DATOP from the command-line on any of the supported platforms, the required input and the produced output files.
DATOP is a tool for arithmetic operations on 1D SAXS data. It is used e.g. for buffer subtraction, for scaling against concentration, for the subtraction of a constant term etc.
$ datop <OPERATOR> <FILE> <FILE|X> [-o FILE]
Argument OPERATOR may be one of: ADD, SUB, MUL, DIV, NORM (case insensitive). DATOP requires two command line arguments where
FILE is a data filename, possibly with relative or absolute path components. Instead of a filename, one of the FILE arguments may be '-' to read data from stdin. The second <FILE> argument may also be a numeric constant X.
DATOP recognizes following command-line options:
Short option Long option Description
--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 must contain three columns: scattering vector, experimental intensity, experimental errors.
The produced output file contains the result of the arithmetic operation.
Subtraction of the buffer (background):
$ datop SUB sample.dat background.dat -o subtracted.dat
Scaling against concentration:
$ datop DIV subtracted.dat 1.23 -o subtracted.dat
When using a negative constant, one needs to pass "--" before the arguments:
$ datop -o result.dat -- MUL subtracted.dat -1.0