CX-ASAP on MX

Background

CX-ASAP is a collection of pipelines and modules for the automatic analysis of chemical crystallography data.

We have incorporated the AX-Brute-individual pipeline into the CX data processing pipeline on MX1 and MX2.

What does this mean for me?

The AX-Brute-individual pipeline runs xprep (with all the suggested options) and SHELXT on each hkl produced by the MX data processing pipeline. This means no more quickly running xprep and SHELXT on your data to see if it is actually what you wanted! 🥳

How do I use it?

Go to the CX-ASAP_Brute folder in your dataset folder and you will see a bunch of files.

Those with _a on the end are the SHELXT results.

Those with sadabs in the name use sadabs absorption correction.

What is this doesn’t solve my structure the way I want?

All the same data still exists in your dataset folder and in the sadabs folders, as it used to. You can process the XDS_ASCII.HKL_p1 or sad.hkl files with xprep manually if you want to select the non-defualt options. Check out CX - accessing and analysing data on the beamline for more information.