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--- processing:compute_gvectors [2019/05/20 09:37] – [Loading peaks] matthias
+++ processing:compute_gvectors [2023/03/14 15:29] (current) – smerkel
@@ Line 54: / Line 54: @@
 At the end of the calibration, the imaginary lines should now be completely straight (if you don't have strain). If they are not, you have more work to do.
-Save the experimental parameters with ''Transformation –> Save Parameters'', with a [[fileformat:imageD11_pars|.par]] or [[fileformat:imageD11_pars|.prm]] extension preferably. You will be able to use those for the rest of the processing of the current experiment.
+Save the experimental parameters with ''Transformation –> Save Parameters'', with a [[fileformat:prm|.prm]] extension preferably. You will be able to use those for the rest of the processing of the current experiment.
 You are ready for G-vectors calculations.
@@ Line 79: / Line 79: @@
 Note that this information is not saved in the //.gve// file. G-vectors do not know which crystal they belong to.
+===== Optionnal step: better list of g-vectors based on cif file =====
+In some cases (complex silicates with many peaks, multi-phase indexing, etc) it can be useful to have a better list of peaks in the g-vector file. This list should be calculated from a CIF file for the phase you will try to index.
+The procedure is a bit tedious, as follow:
+  * Create a CIF file for the phase you are trying to index, with the proper unit cell parameters and atomic positions,
+  * Use the [[processing:list-peaks-from-cif|timelessPeaksFromCIF]] to generate a list of peaks, with h, k, l, intensity, ds, and 2theta
+  * Peaks