Nifty (IMHO): Tracking changes to parameters

[briantoby]

Notebook

This is not that new, but the GSAS-II Notebook, which was originally just a place where one could write notes to oneself, can now do a lot more. Every time a refinement is run, info is stuck here so you can track what was done. Notes are still possible.

One can filter what is displayed from what has been saved and write the displayed info out to a text file.
Also, one can plot the Rw or GOF.

Tracking and plotting parameters

One can now designate parameters to be logged using the "View LS parms" command (in the Calculate menu), or log the 1st 50 parameters using the LogAllVars preference setting. These "logged" vars are now written into the Notebook and can be plotted from the notebook (like Rw and GOF) from the Plot button.

Results after a fit

I have never thought that the window that pops up after a refinement, asking if you wanted to keep or discard the last fit, was very useful. I want to look at what happened and see if keeping the results makes sense. I guess one could open the most recent .lst file and see what is there.

Parameter shifts are now shown in this window. If a parameter has been logged, clicking on the parameter will show a plot of the values over the refinements.