datmow

• Manual
  • Introduction
  • Running datmow
    • Command-line arguments and options
    • Runtime output
  • datmow input files

Manual

The following sections briefly describe how to run DATMOW from the command- line, the required input and runtime output

Introduction

DATMOW estimates the molecular weight of a particle based on the apparent volume method (Fischer et al., 2010). It uses scattering data to calculate apparent volume and molecular weight, requiring the forward scattering intensity and radius of gyration to be known.

Running datmow

Usage:

$ datmow [OPTIONS] <SASDATA(s)>

OPTIONS known by DATMOW are described in the next section, the required argument(s) FILE(S) in the section on input files.

Command-Line Arguments and Options

DATMOW requires the following command line arguments:

Argument	Description
SASDATA(S)	One or more experimental SAS data (.dat) files.

Absolute as well as relative paths to data files are accepted. Instead of a file name, the argument may be given as ‘-‘ to read data from stdin.

DATMOW recognizes the following command-line options:

Short option	Long option	Description
	--i0=<VALUE>	Forward scattering intensity (I(0))
	--rg=<VALUE>	Radius of gyration (Rg)
	--first=<N>.	Index of the first data point to use. Default: 1.
-v	--version	Print a summary of arguments, options, and exit.
-h	--help	Print usage information and exit.

Runtime output

DATMOW output consists of result lines for each input file with the following values: smax (\(\AA^{-1}\)), Q’, V’ (apparent volume), V (Volume, \(\AA^3\)), MW (Da), file name.

datmow input files

DATMOW expects background-subtracted experimental SAS data (.dat).

The options (--i0, --rg, --first) are applied identically to all input files.