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Scaled unmerged data files: Difference between revisions
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correct filename from xdsme
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Please | Please note that autoPROC+BUSTER outputs reflection data mmCIF that contains | ||
* The data that went into the final refinement step (to provide the possibility for validation and re-refinement) | * The data that went into the final refinement step (to provide the possibility for validation and re-refinement) | ||
* The output of the refinement program - including map coefficients for the 2mFo-DFc (electron) density map and the mFo-DFc difference density map. This will allow a user to compute the maps exactly as seen by the depositor, i.e. those maps any original model interpretation were based upon. | * The output of the refinement program - including map coefficients for the 2mFo-DFc (electron) density map and the mFo-DFc difference density map. This will allow a user to compute the maps exactly as seen by the depositor, i.e. those maps any original model interpretation were based upon. | ||
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See [https://staraniso.globalphasing.org/deposition_about.html here] for up-to-date details regarding deposition and mmCIF files generated already on the [https://staraniso.globalphasing.org STARANISO server]. | See [https://staraniso.globalphasing.org/deposition_about.html here] for up-to-date details regarding deposition and mmCIF files generated already on the [https://staraniso.globalphasing.org STARANISO server]. | ||
===XDS / XSCALE=== | ===[http://xds.mpimf-heidelberg.mpg.de XDS / XSCALE]=== | ||
Scaled unmerged data from XDS CORRECT and XSCALE is written in the XDS_ASCII.HKL format. The GEMMI converter can use these files directly. | Scaled unmerged data from XDS CORRECT and XSCALE is written in the XDS_ASCII.HKL format. The GEMMI converter can use these files directly. | ||
===xdsme=== | ===xdsme=== | ||
Uses XDS and outputs scaled unmerged <code>XDS_ASCII.HKL</code> and <code>{image-glob}_pointless.mtz</code>. The latter is converted from the former using Pointless. | |||
===xia2=== | ===xia2=== | ||
Scaled unmerged MTZ file is stored as <code>DataFiles/*_scaled_unmerged.mtz</code>. | Scaled unmerged MTZ file is stored as <code>DataFiles/*_scaled_unmerged.mtz</code>. | ||