datrg

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

Manual

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

Introduction

DATRG is a tool for the calculation of radius of gyration (\(R_g\)) and forward scattering \(I(0)\), given a specific data range. It also estimates errors of determined values and the goodness of fit of the Guinier approximation.

If the data range for the Guinier approximation is unknown, AUTORG may be used.

Running datrg

Usage:

$ datrg [OPTIONS] <SASDATA(s)>

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

Command-Line Arguments and Options

DATRG requires the following command line arguments:

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

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

DATRG recognizes following command-line options:

Short option	Long option	Description
-t	--type <TYPE>	Assumed type of particle, may be one of: GLOBULAR, FLAT, or ROD (case insensitive). Default: GLOBULAR.
	--first <N>	First point of the Guinier region. Default: 1.
	--last <N>	Last point of the Guinier region. Default: N, where N is the number of points in the rspective data file.
-v	--version	Print version information and exit.
-h	--help	Print a summary of arguments, options, and exit.

Runtime output

DATRG output consists of results lines for each input file with the following values: Rg, error of Rg, I0, error of I0, fidelity.

datrg input files

FILE may come in any supported file format that provides a scattering vector, experimental intensity and experimental errors.

Multiple inputs may be provided at once, but note that the --first and --last and --type values specified are applied to all inputs the same.

Examples

$ datrg -t ROD --last 20 sample001.dat sample002.dat
1.406       0.001       2.957       0.002       0.000  sample001.dat
1.495       0.001       2.506       0.002       0.000  sample002.dat