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.

NOTE: These files can be the output of the program MKDAT.

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.

NOTE: This file can be the output of the program MKDAT.

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.

NOTE: This file can be the output of the program MKDAT.