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Figure 8
MSP method in TOPAS GUI Mode: (a) assign the sum of I from hkl_Is fitting to the parameter S_Kao; calculate the M_Kao S_Kao / mol_f2_Kao / Get(cell_volume) value from the molecule weight M_Kao and the pre-calculated molecular scattering power mol_f2_Kao; (b) input the above-calculated value of M_Kao S_Kao / mol_f2_Kao / Get(cell_volume) into the `Cell Mass' box for this hkl_Is phase. Run the refinement again to obtain QPA results for all phases in this mixture.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 4| August 2025| Pages 1159-1173
https://doi.org/10.1107/S1600576725004054
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