ARCHIVED. THIS IS OLD INFO FOR WHEN WE WERE USING PETER’S SCRIPTS (“RABBIT PROC”)
This is what happens automatically “in the background” while you are collecting data:
- The beamline interface sofware, b3, communicates all snapshots and datasets it collects to a central database
- An external data processing server monitors this database and finds out if there are any datasets collected that are in need of processing
- If a ‘new’ dataset has been found that needs to be processed, a processing job is executed
- Data processing is performed by XIA2 (http://xia2.blogspot.com; Acta Cryst D 2013 Jul 1; 69(Pt 7): 1260–1273)
- In order to make it more robust, data is processed as follows:
A. Try xia2 with XDS and labelit indexing on 2 frames
B. If A fails, try xia2 with XDS using indexing with all frames
C. If B fails, try processing with DIALS
D. If C fails, try with MOSFLM
E. If D fails, give up
- Once the data is processed, it is moved into the users home directory under ~/rabbit_proc
WHAT TO EXPECT:
- The processing will try and make sure that your data is named in a unique way. The way it does this is by placing the results in the following directory structure: /your_home_directory/rabbit_proc/data_set_name_beamline_year_date_time
- Within the directory, you will find the xia2 output structure and some additonal files. In particular, the scaled reflections file is in the subdirectory DataFiles/P_X_scaled.sca
WHAT TO KEEP IN MIND
- The data processing is an automated process. It doesn’t hurt to check if the results are reasonable. In the vast majority of cases it will be.
- Don’t call your dataset something very generic, use logical names that are project specific, it will make browsing your results later on a lot easier.
- Data processing can take anywhere from 10 minutes to 2 hours, depending on the quality. Typically you should expect to see something appearing within 20 minutes. (We are working on speeding this up.)