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 to convert. Converted files are placed in the original directory.

-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


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