Figure 1
Flow of the metadata of the structure-determination pipeline from crystallization to publication and deposition. IceBear assigns selected crystals a unique sample name and the ISPyB diffraction information is associated with the corresponding sample name. Uploading the metadata from the home laboratory to ISPyB is performed with the IceBear shipment module, as described in the text. The scheme visualizes the integration of the ISPyB diffraction metadata in the structure-determination pipeline when data are collected at a synchrotron running ISPyB. Diffraction metadata of selected crystals using other X-ray facilities, for example a home source, for crystal testing as well as data collection can also be uploaded into the database. Solid arrow: metadata are transferred manually. Double arrow: metadata are transferred automatically. Double-dashed arrow: hypernet links are transferred automatically. Dotted arrow: the IceBear database can be searched using the PDB code of a structure. |