DATPOROD manual

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© ATSAS Team, 2010-2012

Table of Contents

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

Manual

The following sections shortly describe the method implemented in DATPOROD, how to run DATPOROD from the command-line on any of the supported platforms and the required input files.

Introduction

The excluded volume of a particle can be computed from a scattering curve using the Porod equation. Application of this formula directly to the experimental data can be confronted with difficulties related to high noise level at higher angles; therefore the smooth regularized curve produced by GNOM or DATGNOM is used. An appropriate constant K₄ is subtracted from each data point to force the s^-4 decay of the intensity.

Running datporod

Usage:

$ datporod [OPTIONS] <GNOMFILE(S)>

OPTIONS known by DATPOROD are described in next section, the 'GNOMFILE' arguments in the section on input files.

Command-line arguments and options

As command line arguments DATPOROD accepts the filename(s) of a GNOM/DATGNOM output, possibly with relative or absolute path components. A mask can be used to match several files.

DATPOROD recognizes following command-line options:

Runtime output

The used Rg, I0, the computed volume estimate and the input file name are printed to stdout.

datporod input files

DATPOROD uses the regularized curve from a GNOM/DATGNOM output file.

Example

$ datporod *compl*.out
  0.273000E+01  0.789100E+01  0.863327E+01  11compl_026.out
  0.309000E+01  0.197100E+02  0.162107E+02  11compl_028.out
  0.357000E+01  0.376500E+02  0.248388E+02  11compl_030.out
  0.389000E+01  0.482800E+02  0.301572E+02  11compl_032.out
  0.356000E+01  0.373700E+02  0.244021E+02  11compl_050.out
  0.297000E+01  0.192600E+02  0.161255E+02  11complex_merge.out
  0.271000E+01  0.108600E+02  0.106667E+02  21compl_020.out
  0.302000E+01  0.186000E+02  0.166231E+02  21compl_022.out
  0.354000E+01  0.280100E+02  0.232878E+02  21compl_049.out