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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Scroll down in the graphical data tables to see some statistics with resolution or by frame number. From manal guide and installation process to the step-by-step data processing procedure this book will be a valuable resource.

The HKL Manual | HKL Research Inc.

Purpose of this exercise. Should I try to increase the mosaicity until all of the spots on the image are covered with preds? How long is this supposed to take? In the xdisp window all ykl2000 should be present in the yellow prediction circles. Just make sure you specify a separate and unique data directory name for your data and processing directories. Can I click more than one set of data? Nevertheless it’s a good idea to use New Project and New Crystal to manage subdirectories and filenames – or the equivalent fields in the Collect tab – since the facility manager is very likely to delete generic “project1” files if the disk starts to fill up.

Should I do this? Once the integration is complete, should I update the site?

Do I have to have a. This way, the peaks will be accumulated off multiple frames – and it also manusl to improve the mosaicity estimate during initial auto-indexing. How do I use the Directory Tree? You only see a significant number of fulls on thicker frames, particularly at higher resolutions.

Although this manual reflects the most current information possible, you should read the Latest News for information that manuxl not have been available prior to our documentation being finalized.


The HKL-2000 Manual

How do I get back to P1? What are the files that make up the HKL suite, and what do they do? P4 1 differs from P4 2 in the pattern of systematic absences and P4 3 has the same pattern as P4 1 because they are enantiomporphic space groups where the only difference is the direction of the screw axis. Should I change the resolution now?

Why do I have to keep the 3D Window at 1 for image plate data? Crystal Check loads default parameters for the sort of images we shoot to test crystals.

Why do I have to keep the 3D Window at 1 for image plate data? To reload an existing project, use the Load button within the Project tab and locate the relevant.

No part of this document shall be reproduced, stored in a retrieval system, or transmitted by any means, electronic, mechanical, photocopying, recording, or otherwise, without written permission from HKL Research, Inc. The screen shot at left is from the Collect sub-tab within the Collect tab yes, that’s confusing but there are two other tabs within Collect that are useful: How hkl200 I change majual

Changing the point group from 4 to might change them a lot e. Be hkl22000 to mount your empty loop before starting the experiment to make sure the height is approximately correct and your pin length will work on this setup. How much disk space am I going to need for this?

Note the percentage of reflections marked for rejection and the total linear R-factor – they will be very importanf during space group determination. During integration Denzo will happily wait for frames that are being collected – just make sure it isn’t hanging up at the end of data collection waiting for frames that will never arrive.

The “Bravais Lattice Table” window below shows the selection of a “primitive hexagonal system”. It does not have the ability to do “remote” data collection although remote monitoring of the data is on my To Do list. Appropriate crystal system can be selected by clicking on the “diamond” box on the left side of the “Bravais Lattice” name.


To remove irrelevant data runs, press Select in the blue box and then Remove Set in the Set Controls panel.

Running HKL at SSRL

How do I set the Mosaicity? In addition, the diffraction power may decay over time due to radiation damage, or due to poor cryo-protection as ice rings develop. What is the 3D Window?

What are reasonable values for the error scale factor and manial if I need really high ones? You need to press the Connect button to get the program to talk to the machine – this establishes connections to the servers in the generator itself.

Check again the correspondence between predicted and observed spot centroids.

HKL2000 Tutorial

If the predicted spot centroids match the observed ones well enough you can then move to the next tab – Strategy – to calculate the manuql necessary to collect a complete data set.

The name of the control computer is mol-xray3. The HKLR version of the program can be used to analyse data you’ve already collected and cannot control the machine. Output plots and Error Scale Factor. To refine the initial indexing result e. How much disk space am I going to need for this? Most of what goes on in the integration tab isn’t all that exciting in terms of monitoring data quality, but you still want to make sure those residuals are small. How do I increase the Mosaicity?

Is it all that important?