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The above bases can be obtained at these sources:
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Excel spreadsheet for 23ID-D & 23ID-B beamlines | ALS pucks and SSRL UniPacks (no fields validation) ALS pucks and SSRL UniPacks (with fields validation), recommended |
The number of rows is used to determine which style puck is loaded; so do not alter the number of rows. The spreadsheet may be populated with information or left blank.
Only three of the columns present in the spreadsheet are used by the screening system as described below. The rest of the columns are for your reference only and will not be displayed in the JBluIce spreadsheet:
Port: | refers to a port in the puck. The robot will use this port to retrieve the sample. Don't change this column. | |
CrystalID: | this label is used by the screening system to generate filenames. It is recommended that a unique ID be used for each sample. | |
Directory: | If provided, this field will be used to generate subdirectories for each sample under the root screening directory. The default template Excel spreadsheet uses the Port as the subdirectory name. | |
ATTENTION: | Please do not put any spaces into the spreadsheet filename or in Port, CrystalID and Directory columns. Instead, use underscores or dashes when a separator is needed. |
Additional optional columns can be used to provide prior information for data processing and structure determination pipelines.
Metal: | defines a metal in the crystal, if defined, the data will be processed as anomalous data. | |
ModelPath: | defines the PDB file to be used for ligand screening using DIMPLE. The files must be located in Downloads or Desktop directory if only the filename is given. Otherwise, the filename should be given in the full absolute path. | |
Spacegroup: | space group name (e.g. p21, p43212), defines a space group to be used in data processing. | |
SequencePath: | define the sequence file to be used by MR, similarly defined as ModelPath. | |
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