Peak phase graphical output

DaBernas

Hello, I'm new with Topas Academic 7 so probably this is me missing something easy.

I'm trying to perform a PONKCS analysis of a multiphase pattern using x_Io/d_Io. In particular, I'm using two Split PV peaks for the amorphous phase.

Although on the graphical output I see a good fit, if I try to decompose the calculated pattern into the single phase lines I get only the crystalline phases, while the simulated PONCKS phase peaks are only indicated by vertical lines at the refined d position. Moreover, when exporting the results as txt files, only 2Th, yobs, ycal, and crystalline phases single lines are present.

I tried to use the Create_2Th_Ip_file macro, but it just saves the d/2Th and I of the two Split PV peaks.

Is there a way to export an xy file of the amorphous phase that cover the pattern full 2Th range?

Thank you in advance for any suggestions

Davide

rowlesmr

You can, in a convoluted fashion.

Set 'iters 0'
Set the scale factors of the strs to be zero
Optional: set background to 0
Use the Out_X_Ycalc(file) macro to write the calculated pattern to file.

HTH

Matthew