2017 prime tutorial

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Post-refine and Merge Sample Data Set with PRIME (2017 Tutorial)

In this tutorial, we will work on the integration results from the first of Tutorial 2 (Myoglobin Data). Before proceeding to running the program, we'll consider making the input file for PRIME based on the situation of this data set.

Generating input file

PRIME input files contain information necessary for successful post-refinement and merging steps. You can access and review the list of input parameters by running prime.run or prime.run -h to view the description of these parameters. For this tutorial we'll start building in from the start.

  • Location of integration results

In this case, we know the location where the integration results (pickle files) are. We can then set,

data = /net/viper/raid1/mu238/XfelProject/dials17/extracted

Note that you supply data as a multiple arguments. The value of the parameter can be a file containing list of integration results, a folder, or a wildcard argument.