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© ATSAS Team, 2010-2012
Table of Contents
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.
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 K 4 is subtracted from each data point to force the s -4 decay of the intensity.
$ datporod [OPTIONS] <GNOMFILE(S)>
OPTIONS known by DATPOROD are described in next section, the ' GNOMFILE' arguments in the section on input files.
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:
Short option Long option Description
--rg Override the Rg found in the input file.
--i0 Override the I0 found in the input file.
--version Print version information and exit.
--help Print a summary of arguments and options and exit.
The used Rg, I0, the computed volume estimate and the input file name are printed to
DATPOROD uses the regularized curve from a GNOM/DATGNOM output file.
$ 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