I have in TOPAS6 used the Known_Weight_Percent-macro when I have measured the same sample with different instruments - e.g. when doing both XRD and ND in the same inp-file, to ensure I only get one weight percentage output for each sample rather than slightly deviating values (or in some cases - very different values). This has worked very well, but after updating to TOPAS7 it does not work properly, and each data set is providing a slightly different mass fraction when refined. The inp-file setup is something like what you see below, exemplified with two of the phases. In one of them, "Disordered", the scale-factor is refined for all datasets (both ND and XRD), whereas for the other one, the "rock salt", the scale factor is only refined in the ND-data set, whereas in the refinement of the XRD-data the amount of RS is supposed to be locked to the weight percentage found in the ND-data set. Because one of the phases always has a refined scale factor, the relative intensities will be correct for all data sets. At least, that is how it worked in TOPAS6. Do anyone have suggestions on how to fix this, or ideas to another way one could/should do this when using TOPAS7?
Example from .inp-file:
xdd filepath_ND
[...]
'========== DISORDERED ============
str
phase_name "Disordered_ND"
#ifdef USE_dis
scale @ 0.133941277_0.002976
weight_percent wp_dis 29.926_0.529
[...]
#else
scale 0
#endif
[...]
'========== Rock salt ============
str
phase_name "Rock salt_ND"
#ifdef USE_RS
scale @ 0.00799088453_0.0004227
weight_percent wp_RS 2.186_0.113
#else
scale 0
#endif
[...]
xdd filepath_XRD
[...]
str
phase_name "Disordered_XRD"
#ifdef USE_dis
scale @ 4.99058194e-005_1.05e-006
#else
scale 0
#endif
[...]
'========== Rock salt ============
str
phase_name "Rock salt_XRD"
#ifdef USE_RS
Known_Weight_Percent(wp_RS)
#else
scale 0
#endif
[...]