I recently used LS-CAT for the first time and collected some datasets from one of my protein crystals. However, when I transferred the dataset using Globus, I realized I have one single massive file (15-20 Gb data) which is not readable by any crystallographic packages. I was told that I need to change the file format using a Terminal command line but not exactly how.
Any inputs would be highly appreciated.
I am not an LS-CAT user, but I can give a few suggestions:
1. Are your images combined and compressed into an archive, i.e. the file name ends with something like .tar.gzip or .tgz or .tar.bz2 or .tbz2? If so, you have to uncompress the file and then extract the individual images before processing.
2. Were your images recorded using either an Eiger or a Pilatus detector? If so, the images are likely contained in a file ending in .h5, and there should also be a file containing the word "master" or something similar. DIALS can read .h5 format natively. XDS requires a special plugin to work with .h5 data (google it). Not sure about iMosflm and HKL2000.
Dear Ali,
It seems that you collected your data at the D station.
The D station is equipped with Eiger detector.
As Matthew pointed, you should have a "master" file with the ".h5" extension.
HKL3000 recognizes this format. The LS-CAT has instructions how to process your data using different software (link below).
https://docs.google.com/document/d/1OhkBlLak9D_ZOB7RvLbqrcMfVgkmmV5aTNxZ4zwTSAQ/edit
Good Luck!
George.
Dear Matthew and George,
Thank you very much for your reply. As both of you mentioned the data was collected using an Eiger detector. I realized they are a few ways to use the data. There is a command line program which breaks down the dataset to its constituent frames or using softwares such as DIALS. George's paper also helps to better understand how to use other programs.
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