Patent ID: 8520802
Filing Date: 2013-08-27
Classification: G01N

Abstract:
1. A method for automatic determination of a quantitative composition of a powder sample, having different phase contents of crystalline and/or amorphous phases, from a diffraction diagram recorded by diffractometry from the powder sample or from an energy-dispersive spectrum, the method comprising the steps of: a) predetermining a list of phases which are to be allocated to the phase contents in the powder sample, the predetermined list comprising phases that are actually contained in the powder sample as well as phases that may not be contained in the powder sample, wherein a threshold phase content value is set for each phase; b) calculating a theoretical diffraction diagram or theoretical energy-dispersive spectrum based on the phases predetermined in the list of step a); c) fitting the theoretical diffraction diagram or theoretical energy-dispersive spectrum to that of a recorded powder sample by variation of the phase contents of the theoretical diffraction diagram or theoretical energy-dispersive spectrum; d) eliminating all phases having phase contents which are below the threshold value from the list of step a), thereby generating a new list; e) repeating steps b), c) and d) until all phase contents are above predetermined threshold values thereof; and f) outputting the composition of the powder sample with remaining phases and associated phase contents thereof.