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- W2030011411 abstract "A method is proposed for extracting the relevant structural information from powder diffraction data. The pattern is fitted and a reduced number of intensity values, called `pseudo-intensities', are extracted and used as a substitute for the full pattern in the structure determination algorithm. Since the number of pseudo-intensities is one order of magnitude smaller than the number of data points in the experimental data, the calculation of the agreement factor ( R wp ), and hence the evaluation of a trial structure, is carried out more quickly. The method consists of a procedure for stripping out the influence of the profile fit from the full pattern R wp factor, leaving just the important intensity information needed in the structure determination process." @default.
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- W2030011411 date "2011-06-08" @default.
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- W2030011411 title "Structure determination from powder diffraction data using a new intensity extraction algorithm" @default.
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- W2030011411 doi "https://doi.org/10.1107/s0021889811014348" @default.
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