Matthew, you can find several examples here: https://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Quality_Control
чт, 20 сент. 2018 г. в 3:18, Whitley, Matthew J <mjw...@pitt.edu>: > Dear colleagues, > > For teaching purposes, I am looking for a small number (< 5) of > macromolecular diffraction datasets (raw images) that might be > considered 'difficult' for a beginning crystallography student to > process. By 'difficult' I generally mean not able to be processed > automatically by a common processing package (XDS, Mosflm, DIALS, etc) > using default settings, i.e., no black box "click and done" processing. > The datasets I am looking for would have some stumbling block such as > incorrect experimental parameters recorded in the image headers, > multiple lattices that cause indexing to fail, datasets for which > determining the correct space group is tricky, datasets for experiments > in which the crystal slipped or moved in the beam, or anything else you > can think of. The idea is for these beginning students to examine > several datasets that highlight various phenomena that can lead one > astray during processing. > > A good candidate dataset would also ideally comprise a modest number of > images so as to keep integration time to a minimum. Factors that are > mostly irrelevant for my purpose: resolution (as long as better than > ~3.5 Å), source (home vs synchrotron), presence/absence of anomalous > scattering, presence/absence of ligands, monomeric vs oligomeric > structures, etc. Also, to be clear, I am not looking for datasets that > have so many pathologies that they would require many long hours of work > for an expert to process correctly. > > I have checked public repositories such as proteindiffraction.org and > SBGrid databank, but all of the datasets I acquired from these sources > process satisfactorily with little effort, and in any event I know of no > way to search for 'challenging' datasets. (I also wonder whether > anybody is in the habit of depositing, shall we say, less-than-pristine > images to public repositories?) > > If you know of such a dataset that is already publicly available, or if > you have such a dataset that you are willing to share for solely > educational purposes, I would appreciate hearing from you, either on- or > off-list. > > Thank you in advance for your suggestions. > > Matthew > > -- > Matthew J. Whitley, Ph.D. > Department of Pharmacology & Chemical Biology > University of Pittsburgh School of Medicine > > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > -- Eugene Osipov Junior Research Scientist Laboratory of Enzyme Engineering Research Center of Biotechnology ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
