title: Establishing a training set through the visual analysis of crystallization trials. Part II: crystal examples.
abstract: In the automated image analysis of crystallization experiments, representative examples of outcomes can be obtained rapidly. However, while the outcomes appear to be diverse, the number of crystalline outcomes can be small. To complement a training set from the visual observation of 147 456 crystallization outcomes, a set of crystal images was produced from 106 and 163 macromolecules under study for the North East Structural Genomics Consortium (NESG) and Structural Genomics of Pathogenic Protozoa (SGPP) groups, respectively. These crystal images have been combined with the initial training set. A description of the crystal-enriched data set and a preliminary analysis of outcomes from the data are described.
authors.affiliation: Hauptman-Woodward Medical Research Institute, 700 Ellicott Street, Buffalo, NY 14203, USA. esnell@hwi.buffalo.edu
authors.forename: Edward H
authors.initials: EH
authors.lastname: Snell
authors.forename: Angela M
authors.initials: AM
authors.lastname: Lauricella
authors.forename: Stephen A
authors.initials: SA
authors.lastname: Potter
authors.forename: Joseph R
authors.initials: JR
authors.lastname: Luft
authors.forename: Stacey M
authors.initials: SM
authors.lastname: Gulde
authors.forename: Robert J
authors.initials: RJ
authors.lastname: Collins
authors.forename: Geoff
authors.initials: G
authors.lastname: Franks
authors.forename: Michael G
authors.initials: MG
authors.lastname: Malkowski
authors.forename: Christian
authors.initials: C
authors.lastname: Cumbaa
authors.forename: Igor
authors.initials: I
authors.lastname: Jurisica
authors.forename: George T
authors.initials: GT
authors.lastname: DeTitta
mesh_terms: D003196:Computer Graphics; D003460:Crystallization; D018360:Crystallography, X-Ray / Q000145:classification / Q000379:methods*; D003628:Database Management Systems; D006801:Humans; D007091:Image Processing, Computer-Assisted / Q000145:classification / Q000379:methods*; D046911:Macromolecular Substances / Q000737:chemistry*; D008958:Models, Molecular; D011092:Polyethylene Glycols / Q000737:chemistry / Q000378:metabolism; D013663:Teaching / Q000379:methods* / Q000639:trends
chemical_list: D046911:Macromolecular Substances; D011092:Polyethylene Glycols