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Simulated annealing omit maps/model map cross correlations
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The final processed streams of serial data were scaled and merged using partialator50, using the ‘—stop-after’ option to generate smaller data sets. For the resulting intensities, mtz files were generated, which were then converted into structure factor amplitudes using truncate61. The final refined model was then used to calculate SA (cartesian) omit maps omitting the ligands in PHENIX. The cross correlation was taken from the ‘Map Correlation’ task of CCP461.
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