datvc

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

Manual

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

Introduction

DATVC estimates the molecular weight of a particle based on the Volume of Correlation method (Rambo & Tainer, 2013). It uses scattering data to compute the correlation volume (Vc) and molecular weight, requiring the forward scattering intensity and radius of gyration to be known.

Running datvc

Usage:

$ datvc [OPTIONS] <SASDATA(s)>

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

Command-Line Arguments and Options

DATVC 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.

DATVC 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 version information and exit.
-h	--help	Print usage information and exit.

Mandatory arguments to long options are mandatory for short options as well.

Runtime output

DATVC output consists of result lines for each input file with the following values: smax (\(\AA^{-1}\)), Vc, MW (Da), file name.

datvc input files

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

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