Differences

This shows you the differences between two versions of the page.

--- crystallography:processing:aimless_procedure [2016/05/18 14:20] – created bonnefon
+++ crystallography:processing:aimless_procedure [2023/11/01 20:19] (current) – external edit 127.0.0.1
@@ Line 6: / Line 6: @@
 </code>
-Create a project with the ccp4 subfolder
+Create a project in the /ccp4 subfolder
 **Run Aimless**
-  * If necessary choose //Customise symmetry determination//>//Choose a previous solution// to force the spacegroup
+  * If XDS was used before, choose the <q>Option to skip scaling & just merge</q> to prevent scaling a second time
-  * If necessary choose //Ensure unique data & add FreeR column...//>//Copy FreeR from another MTZ// to import the FreeR flags from a reference MTZ file
+  * If there are several datasets/scans for the same crystal scale and merge all sets in Aimless
+  * If necessary choose <q>Customise symmetry determination>Choose a previous solution</q> to force the spacegroup
+  * If necessary choose <q>Ensure unique data & add FreeR column...>Copy FreeR from another MTZ</q> to import the FreeR flags from a reference MTZ file
   * Specify the //Project//, //Crystal// and //Dataset// names
-  * Change the output name to drop_scaled1.mtz
+  * Change the output name to **drop_scaled1.mtz**
-  * Make a second run in which you specify the high-resolution cut //with Exclude data resolution [...] greater than [ ] Angstroms// and name the ouptput file drop_res_scaled1.mtz
+  * Make a second run in which you specify the high-resolution cut with <q>Exclude data resolution [...] greater than [ ] Angstroms</q> and name the output file **drop_res_scaled1.mtz**
 **Run Sftools**
-  * Use sftools to //delete columns// and remove the 13 unnecessary columns > drop_res_scaled1_6col.mtz
+  * Use sftools to <q>delete columns</q> and remove the 13 unnecessary columns and name the output file **drop_res_scaled1_6col.mtz**
-  * Use sftools to //delete reflections// and //Delete// selected reflections: where //Selection includes reflections with data missing in specificed column// (F_drop) > drop_res_scaled1_6col_cleaned.mtz
+  * Use sftools to <q>delete reflections</q> and <q>Delete selected reflections:</q> where <q>Selection includes reflections with data missing in specificed column (F_drop)</q> and name the output file **drop_res_scaled1_6col_cleaned.mtz**