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Changes for page 05. Data processing

Last modified by tabermah on 2024-12-11 11:17
From version 45.1
edited by tabermah
on 2024-12-10 14:29
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To version 42.1
edited by tabermah
on 2024-12-03 11:33
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1 += 11.1. Automatic data processing =
2 2  
3 -= 5.1. Automatic data processing =
3 +Unless you un-check the option for the specific acquisition run, autoprocessing will be executed. For standard rotational data autoprocessing is via XDSAPP ([[https:~~/~~/www.helmholtz-berlin.de/forschung/oe/ps/macromolecular-crystallography/hzb-mx-software/xdsapp3/index_en.html>>url:https://www.helmholtz-berlin.de/forschung/oe/ps/macromolecular-crystallography/hzb-mx-software/xdsapp3/index_en.html||shape="rect"]], current version 3.1.9) (Sparta et al. (2016) //J. Apple. Cryst.// **49**, 1085-1092) for strategy calculation we use Mosflm (Leslie //Acta D//**62** (2006) 48-57) and Spotfinder ((% style="color:#000000; text-decoration:none" %)Zhang et al. (2006) (% style="text-align:left; text-decoration:none" %)//J. Appl. Cryst.//(% style="color:#000000; text-decoration:none" %) (% style="text-align:left; text-decoration:none" %)**39**(% style="color:#000000; text-decoration:none" %), 112–119)(%%) for producing the heatmap for the grid scans. The results are compiled into HTML-files to give you a convenient way of checking them. The output files are in the processed folders of the corresponding datasets.  A self refreshing index of all results is created in the beamtimes processed folder. During the beamtime you can open it from file::~/~//gpfs/current/processed/index.html in a browser. The HTML-file is also contained in your data backup.
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5 -Unless you un-check the option for the specific acquisition run, autoprocessing will be executed. For standard rotational data autoprocessing is via XDSAPP ([[https:~~/~~/www.helmholtz-berlin.de/forschung/oe/ps/macromolecular-crystallography/hzb-mx-software/xdsapp3/index_en.html>>url:https://www.helmholtz-berlin.de/forschung/oe/ps/macromolecular-crystallography/hzb-mx-software/xdsapp3/index_en.html||shape="rect"]], current version 3.1.9) (Sparta et al. (2016) //J. Apple. Cryst.// **49**, 1085-1092) for strategy calculation we use Mosflm (Leslie //Acta D//**62** (2006) 48-57) and Spotfinder ((% style="color:#000000; text-decoration:none" %)Zhang et al. (2006) (% style="text-align:left; text-decoration:none" %)//J. Appl. Cryst.//(% style="color:#000000; text-decoration:none" %) (% style="text-align:left; text-decoration:none" %)**39**(% style="color:#000000; text-decoration:none" %), 112–119)(%%) for producing the heatmap for the grid scans. The results are compiled into HTML-files to give you a convenient way of checking them. The output files are in the processed folders of the corresponding datasets.  A self refreshing index of all results is created in the beamtimes processed folder. During the beamtime you can open it from [[file:~~/~~//gpfs/current/processed/index.html>>file:///gpfs/current/processed/index.html]] in a browser. The HTML-file is also contained in your data backup.
5 += 11.2. Manual data processing =
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7 -= 5.2. Manual data processing =
8 -
9 9  Please do not use the control computers of the beamline (haspp11user01-04) nor the haspp11eval01 for data processing (latter is now fully dedicated to autoprocessing).
10 10  
11 11  Use Maxwell-cluster for data processing as described in the next chapter. Access to Maxwell requires a Scientific Account.