Year: 2012
Type: article
Abstract: The availability of intense and collimated synchrotron sources and fast-reading detectors, with the increased likelihood of severe radiation damage, has enabled and forced the community of protein crystallographers to acquire large numbers of datasets of a same structures in a relatively short interval of time.A similar speeding up will have to be built in the processing of such multiple sets, or data collection efforts go wasted.A computer program, BLEND, has been implemented for this task.BLEND uses multivariate statistics, mainly in the form of cluster analysis, to bring together datasets with better merging likelihood.The program allows researchers to save time both in avoiding the combinatorial explosion implied in the analysis of multiple datasets and in the cumbersome and time-consuming amount of bookeeping that goes with it.This talk will highlight BLEND's workings and illustrate its ability to carry out optimal selection of groups of datasets with several real-data examples.BLEND is currently installed at the Diamond Light Source synchrotron, where an increasing number of users employ it to sift through their datasets.BLEND has been used successfully in the solution of a novel membrane protein.
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W2320710546