![]() ![]() | | Overall | Low resolution | High resolution | Using all data sets for subsequent analysis Highest possible metric symmetry and unit cell using LePage (J Appl Cryst 1982, 15:255) method, maximum delta 3deg. Input lattice count, with integration Bravais setting space group.Ĭluster median with Niggli cell parameters (std dev in brackets). Selecting 4 experiments with refined reflections Selecting 4 experiments with profile-fitted reflections The following parameters have been modified: Want to know more about the different processing steps up to this point. Have a look at the Processing in Detail tutorial if you We shall start with the integrated reflections andĮxperiments files generated by running the automated processing software The dataset consists of four repeats ofĪ 60-degree rotation measurement on a crystal of Proteinase K, taken at different The VMXi beamline, Diamond’s automated facility for data collection fromĬrystallisation experiments in-situ. In this tutorial, we shall investigate a multi-crystal dataset collected on Of the data which may be negatively affected by radiation damage. After the data has been scaled, choicesĬan then be made about applying a resolution limit to exclude certain regions Reindex all data to a consistent setting, which can be done with the programĭsym (see Gildea and Winter for details).įinally, the data must be scaled, to correct for experimental effects such asĭifferences in crystal size/illuminated volume and radiation damage - this canīe done with the program dials.scale (with algorithms similar to those In order to combine multiple datasets from these space groups, one must There is an inherent ambiguity in the way that the diffraction pattern can be Similar to those of the program Pointless).Īnother thing to consider is that for certain space groups (polar space groups), Program to perform this is analysis is dials.symmetry (with algorithms Operations relating the integrated intensities of groups of reflections - the Space group symmetry can be investigated by testing for the presence of symmetry Performing data collections for certain crystals. These tools are particularly relevantįor analysis of many partial-datasets, which may be the only practical way of Recent additions to DIALS and xia2 have enabled multi-crystal analysis to be ![]()
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