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![[Figure 4]](ba5267fig4mag.jpg)
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Figure 4
The Maps & Restraints panel which allows users to calculate initial maps and generate ligand coordinates and restraints. The central table gives an overview of all data sets that can be used for initial map calculation with DIMPLE. Rcryst and Rfree are displayed if initial refinement has already taken place. Like all other tables, the table can be sorted by any of the displayed columns. XCE tries to automatically assign a suitable reference file for input into DIMPLE. The drop-down menu displays the currently selected reference file, but it is possible to select any other file from the list. The last three columns indicate the status of each data set, i.e. whether they were already subject to analysis and inspection with the PanDDA algorithm. Ranges of rows can be selected and marked for map calculation with DIMPLE. |
![[Figure 4]](ba5267fig4.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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