datop

• Manual
  • Introduction
  • Running datop
    • Command-line arguments and options
  • datop input files
  • datop ouput files
• Examples

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