User Tools
processing:complex-multi-phase
Differences
This shows you the differences between two versions of the page.
| Both sides previous revision Previous revision Next revision | Previous revision | ||
|
processing:complex-multi-phase [2023/12/10 08:36] smerkel |
processing:complex-multi-phase [2023/12/10 11:11] (current) smerkel |
||
|---|---|---|---|
| Line 20: | Line 20: | ||
| To do so, it is much better to work on an [[processing:phase_identification| 2θ-histogram of the experimental g-vectors]]. | To do so, it is much better to work on an [[processing:phase_identification| 2θ-histogram of the experimental g-vectors]]. | ||
| - | The figure on the left shows an example from Gay //et al// //Earth and Planetary Science Letters// 604 (2023) [doi: [[https://doi.org/10.1016/j.epsl.2023.118015| 10.1016/j.epsl.2023.118015]]]. The sample holds 4 sample phases and a pressure medium (KCl). Top image is an ω-stack for all experimental g-vectors, potted as a function of ds and η. The bottom image is what you get if you try to index an average diffraction image directly. The middle panel is what is extracted from a 2θ-histogram of the experimental g-vectors. | + | The figure on the right shows an example from Gay //et al//, published in //Earth and Planetary Science Letters// in 2023 [doi: [[https://doi.org/10.1016/j.epsl.2023.118015| 10.1016/j.epsl.2023.118015]]]. The sample holds 4 sample phases and a pressure medium (KCl). Top image is an ω-stack for all experimental g-vectors, potted as a function of ds and η. The bottom image is what you get if you try to index an average diffraction image directly. The middle panel is what is extracted from a 2θ-histogram of the experimental g-vectors. |
| - | The histogram is less affected by very large grains (the pressure medium in our case). In addition, experimental peak broadening, due to the experiment or the sample properties such as grain size or microstrains, have been removed since we only consider the center of mass of eack peak. | + | The histogram is less affected by very large grains (the pressure medium in our case). In addition, experimental peak broadening, due to the instrument or the sample properties such as grain size or microstrains, have been removed since we only consider the center of mass of eack peak. |
| You can then use your favorite powder diffraction software, such as [[https://github.com/seto77/PDIndexer|PDIndexer]] or [[https://luttero.github.io/maud/ | MAUD]] to identify sample phases and their unit cell parameters. Just keep in mind that peak intensities in the histograms are not true intensities, but a number of experimental g-vectors. | You can then use your favorite powder diffraction software, such as [[https://github.com/seto77/PDIndexer|PDIndexer]] or [[https://luttero.github.io/maud/ | MAUD]] to identify sample phases and their unit cell parameters. Just keep in mind that peak intensities in the histograms are not true intensities, but a number of experimental g-vectors. | ||
| Line 49: | Line 49: | ||
| You can either run this by hand, your use a fancy loop with a bash script. We actually spent some time working on such a loop, and you can find an [[examples:gs_loop_multiphase|example of a multiphase indexing loop here]]. | You can either run this by hand, your use a fancy loop with a bash script. We actually spent some time working on such a loop, and you can find an [[examples:gs_loop_multiphase|example of a multiphase indexing loop here]]. | ||
| + | |||
| + | ===== Preparing figures ===== | ||
| + | |||
| + | This will be written later. We are still waiting for some publications to be accepted. | ||
| + | |||
processing/complex-multi-phase.1702197408.txt.gz · Last modified: 2023/12/10 08:36 by smerkel
Page Tools
Except where otherwise noted, content on this wiki is licensed under the following license: GNU Free Documentation License 1.3
