This manual contains information to assist you during the processing of the data with the HKL program suite. From starting guide and installation process. The information provided in this site is specific for running HKL at SSRL. The HKL on-line manual is available at the HKL Research. HKL Online Manual. Your diffraction data. In this exercise you will be working with an X-ray diffraction data set collected for a single crystal of trypsin at .

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If you’ve used HKL then the general layout is familiar. To refine the initial indexing result e. How do I treat data that contains an anomalous signal? A selected set can be removed by clicking on the “Remove Set” button on the lower portion of the “Main window”. Scaling After the integration step you will have in the working directory a series of.

How do I set the path? See the discussion above for “how far does my data go”. These work well with strong diffractors.

How do I change it? Hkll2000 Scaling your data is where you start to find out what your intrinsic data quality is, so we need to define this: I generally recommend against doing this if you’re actually collecting data since it makes more sense to cluster related datasets into one project.


If you’re collecting data or want to auto-index your data you will use more of the tabs further to the right. Other icons of interest are XGControl for controlling the generator, ImageViewer which is apparently Rigaku’s image viewing program, and a standalone version of the Rigaku Strategy program – probably not a lot of use without importing Denzo’s idea of crystal and goniostat parameters.

But the second table from the top – “Global Statistics” – is a pretty good summary: The reflection position in 2D spacethe intensity, and background will be stored in a working directory as a series of files with the extension. For really problematic indexings I try every 10th frame to get an indexing that I believe to be correct and work from there. These experimenters can janual obtain a temporary, free of charge, license to re process data collected at synchrotron beamlines.

The HKL-2000 Manual

The box needs to be several times the size of the spot to get a reliable background estimate. Is that the correct resolution in the green box. Do I have to have a.

What if no lattice other than primitive triclinic comes up green? How do I verify that the site information is correct? Information on how to adjust various parameters to obtain good agreement is available at the HKL site.

Gkl2000 Status button is sometimes a more reliable source of information. The HKL system also has tools for validating the results by self-consistency checks.


How to start the HKL program? The primary space groups are the first space groups in each Bravais lattice type in the table below.

Crystals on the home source don’t damage anywhere near as fast as at a synchrotron at least a few days in the beam but incomplete data is useless for most tasks and there’s no excuse for collecting it. The scaling attempts to normalize these effects. Can you see the water ring? Waiting for image frames.

Table of Contents

How do I fix it? Can I index on peaks collected from several contiguous frames?

Also note the wavelength of the X-ray beam. Click Calculate Strategy to get the program to come up with something. Additional features on this tab are: Upon login, the default Desktop has icons for the software on the left-hand side.

Using HKL for Data Collection at Princeton University

What are the limitations for 3D Window usage? What are the files that make up the HKL suite, and what do they do? How to start the HKL program? What if the frame numbering looks different than I had hkl2000