Warning: Trying to access array offset on value of type null in /home/site/wwwroot/lib/plugins/move/action/rename.php on line 42

Warning: Cannot modify header information - headers already sent by (output started at /home/site/wwwroot/lib/plugins/move/action/rename.php:42) in /home/site/wwwroot/inc/actions.php on line 38
converting_q_data_files_to_2th_data_files [topas wiki]

User Tools

Site Tools


converting_q_data_files_to_2th_data_files

On the bottom of the web page http://www.topas-academic.net/ is a small program called q-to-2th.exe. Downloaded it to the main TA directory.

q-to2th converts QI files to XY files; it can be run from the command line as follows:

       q-to-2th #wavelength \some-directory\*.qi -correct -remove-old-ext

where

#wavelength is a number corresponding to the wavelength in Angstroms

\some-directory\*.qi identifies the files

-correct multiplies the y values by (4 Pi / Lam) Cos(Th), or, the y values are corrected such that:

 I(2 Th) = I(Q) dQ / d2Th

the y values are then normalized such that:

 Sum[ |y_new| ] = Sum[ |y_old| ]

-remove-old-ext removes the current extension (ie. QI) and replaces it with XY.

-correct and -remove-old-ext are optional. If -correct is not present then no correction is made. If -remove-old-ext is absent then an XY extension is append to the file names.

-correct should be used if the data was in fact collected with equal Q steps. If it was collected with equal 2Th steps and if no correction was applied to the RAW data then do not apply -correct.

Alan Coelho 2021/07/29 16:39

converting_q_data_files_to_2th_data_files.txt · Last modified: 2022/11/03 15:08 by 127.0.0.1