Dear all I performed a sequential refinement (7 batches with 1250 histograms each, results are spliced together). During the nth refinement I refined cell parameters of one of the phases (phase A). The result, see blue curve of attached pdf. During the next refinement I removed these cell parameters from the list of the parameters to be refined but refined other parameters. I also selected the "copy results to next histogram" option. Unexpectedly, I find that also the cell parameters of phase A have been copied forward during the refinement (red curve in pdf): For each batch the result of the first histogram is used throughout the whole batch leading to the horizontal segments in the red curve. Is this really the intended behavior? I would expect that only refined parameters are copied forward to be used as starting values. Non-refined parameters should not be touched.
Any clarification appreciated. Ivo -- Dr. Ivo Alxneit Catalysis for Energy Group Bioenergy and Catalysis Laboratory phone: +41 56 310 4092 Paul Scherrer Institute fax: +41 56 310 2688 CH-5232 Villigen gnupg key: 0x515E30C7 Switzerland https://www.psi.ch/ceg/
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