processing:phase_identification
This is an old revision of the document!
Identify sample phases
Before you move on to multigrain indexing, you will need to know:
- what phases you are looking for,
- their crystal structures and cell parameters.
If you have a decent powder diffraction pattern to work with, you can try to do so with typical software people use in DAC experiments: dioptas, maud, etc.
There is a second option:
- collect diffraction peaks using peak-search,
- generate a 2-theta histogram of peaks.
This will be discussed below.
2-theta histograms
Generating a 2-theta histogram of peaks identified with a peak search has several advantages:
- most of the background signal (diamonds, shadows, etc) has been removed,
- a strong powder signal from the pressure medium will be partly removed,
- the signal from the sample you are trying to index is stronger,
- the histogram is based on the peak center of mass only, and hence removes the broadening due to grain size or internal strains.
Some drawbacks
- this is not a true powder diffraction pattern, peak broadening, in particular, is different,
- current easy-to-use versions do not sum intensities, but count the number of peaks for a given 2theta. The recovered intensity is proportional to the multiplicity, and not the structure factor. Diffraction intensities are messed up an can be used for structural refinements.
processing/phase_identification.1612956479.txt.gz · Last modified: by smerkel
