Input file requirements
The CMWP-fit method enables peak profile analysis starting by
uploading the measured powder pattern file, the instrumental profile
files, the indexing file and the background spline's base points file.
Powder pattern file:
This is a two-column ASCII file. The first column should contain
Two Theta and the second column contains the intensity values.
Instrumental profile files:
These are two-column ASCII files.
The first column should contain the K-K0 values and the second
column contains the intensity values, where K=2*sin(Theta)/lambda and K0
is the K value at the center of the peak. You must also specify the
Two Theta value of the peak centers when uploading.
Indexing file:
This is a three-column ASCII file.
The first column should contain Two Theta value of the peak
centers, the second column contains the maximal intensity value of
the peaks and the third contains the hkl indices of the peaks.
The background spline's base points file:
This is a two-column ASCII file. The first column should contain
Two Theta and the second column contains the intensity values
of the relevant base points of the background.
Please note that all these are simple ASCII files which can be created
or edited by any simple text editor. If you need to do some data
transformation (e.g. usually you have measured instrumental profiles as a
function of 2*Theta, but you need to provide them as a function of K-K0, where
K=2*sin(Theta)/lambda and K0 is a constant), then you can use any spreadsheet
software for this purpose, see e.g. the list on the following webpage:
https://en.wikipedia.org/wiki/List_of_spreadsheet_software