datop
Manual
The following sections briefly describe how to run DATOP from the command- line, the required input and the produced output files.
Introduction
DATOP is a tool for arithmetic operations on 1D SAXS data. Use cases include backgriund subtraction, for scaling against concentration, for the subtraction of a known constant term etc.
Running datop
Usage:
$ datop <OPERATOR> <SASDATA> <SASDATA|X> [-o FILE]
Command-Line Arguments and Options
DATOP requires the following command line arguments:
| Argument | Description |
|---|---|
| OPERATOR | One of: ADD, SUB, MUL, DIV or NORM. |
| SASDATA | Experimental data file. |
| SASDATA | X | Experimental data file or numerical value. |
Absolute as well as relative paths to data files are accepted. Instead of a file name, one of the arguments may be given as ‘-‘ to read data from stdin.
DATOP recognizes following command-line options:
| Short option | Long option | Description |
|---|---|---|
| -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, options, and exit. |
datop input files
DATOP expects experimental SAS data (.dat) .
datop output files
The produced output represents the result of the arithmetic operation.
Examples
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