Isolate & Analyze Diffuse Scattering in X-ray Diffraction Images
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README.md

Diffuse_Scattering

This package takes raw diffraction images as input and returns 3D-reciprocal space maps of the diffuse X-ray scattering present in the images. The script relies on a custom build of DIALS (http://dials.lbl.gov/installation.html), which incorporates methods from the Lunus software package (https://github.com/mewall/lunus/tree/master).

Quick Summary

Contents

sematura_launcher.py        #script to run functions from library, can launch jobs on SGE
sematura.py                 #library of functions for processing diffraction images
sematura_params.py          #input parameters for diffuse data processing
checkout.py                 #beginnings of a test file against gold standard outputs
*.npz                       #lattice files
*.pkl                       #crystal object from DIALS output
*.cbf                       #raw data to test pipeline

Usage

libtbx.python sematura_launcher.py -i -p -a     #example of how to run pipeline in folder with raw data

Detailed Instructions

Coming Soon!

Prerequisities

DIALS (Custom Build)

Help

libtbx.python sematura_launcher.py -h