Mapping of Sample fields #33
Description
Synchrotron upload sheets generally have a single spreadsheet row per sample. MXLIMS has multiple objects, and it is not always clear what is the best way of mapping to them. MXLIMS would contain sometimes a Macromolecule object (for the protein, if this is modeled separately), a MacromoleculeSample object, for the sample contents, a Pin object (but it could be a PinPosition or a Well, or a DropRegion), and an MxExperiment object.
The obvious mapping would be to put the protein name and protein acronym in the Macromolecule object.
The current upload sheets seem to have only one of sample name, sample acronym, and crystal name.
- Are these the same thing?
- How are they used in directory and file naming?
There is also only one 'comment' or 'Sample comment' field.
The problem is where to put them in MXLIMS: since there is not a 1:1:1 relationship between some kind of sample object, a pin or well, a crystal and an experiment, when you move away from the most standard experiments. A MacromoleculeSample refers to contents and could be spread across multiple holders; holders can have multiple crystals (and may not be represented in the same LIMS system that tracks experiments); and the MxExperiment object does nto seem an obvious home for a field that used to be called 'sample name'.
It would be useful with input on how people deal with multi-crystal holders (e.g. cubic lipid phase, SSX, multiple crystals in a loop or well) and in general on the best way to model this.