CrysAlisPro Tip

Experiment Cleanup

Why should I use it?

Every disk has only limited storage space. Running one data acquisition after another over several months or years can lead to a few giga-/terabytes of data. CrysAlisPro can help you free up data space from any disk by removing unnecessary tmp folders, large log files, or whole experiments with ease. It is also possible to compress images or zip and move certain experiments to a selected folder with the Experiment Cleanup feature built in CrysAlisPro.

How do I use it?

Open any *.par file in the offline version of CrysAlisPro. There are now two ways to open the dialog window: (1) click on the power tool Command shell, type xx cleanup into the command line and press Enter, or (2) click on the power tool Service utility and select Exp. cleanup.

decCT4

Figure 1. Different ways to access the Experiment Cleanup feature.

The dialog allows you to clean up your folders from CrysAlisPro tmp folders that were created during the data reduction process, or large log files. It can additionally compress images to the more effective CCP4-based bitwise compression, and many more.

First, choose the root directory that you would like to clean up. Then select your choice of settings and press Start Cleanup. Depending on the number of experiments and which options were selected, it might take a while.

Note: Please do not delete log files from recently performed experiments. Up to 30% can be freed up from each experiment when you choose Empty tmp folder and Delete large log files.

Author

Photo of Khai-Nghi Truong, PhD
Khai-Nghi Truong, PhD | Application Scientist - Single Crystal XRD/ED

Rigaku Europe SE | Germany

Dr. Khai-Nghi Truong obtained his PhD in inorganic chemistry and small molecule crystallography at RWTH Aachen University (Germany) in late 2018, working under Prof. Ulli Englert on the synthesis and characterization of metal-organic frameworks. From 2019 to 2022, Khai worked as a postdoctoral research fellow with the renowned Prof. Kari Rissanen at the University of Jyväskylä (Finland). He was part of the EU funded Horizon2020 FET Open research and innovation programme INITIO working as an expert in solid-state. His areas of expertise are inorganic and organic small molecule crystallography, supramolecular chemistry as well as materials science. As service crystallographer, chair of the Young Crystallographers of the German Society of Crystallographic (DGK-YC) and German representative of the Young Crystallographers’ European Crystallographic Association (YC-ECA) for several years, Khai has build-up a strong network of collaborators all around the world. He has contributed to more than 60 publications using different diffraction methods, viz. X-ray powder diffraction, single crystal X-ray and neutron diffraction. Khai joined Rigaku Europe SE in mid 2022, working as Application Scientist for both single crystal X-ray and electron diffraction supporting Rigaku’s clients in the EMEA region. Want to learn more? Connect with Khai-Nghi Truong, PhD LinkedIn .

Crystallography times editor

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