CSM Import Raw NMR

CSM Import Raw NMR Class.

Import NMR experiment into csm_nmr_spectra objects. Optionally Run QC checks.

Leave arguments blank for pop-up selection boxes.

experimentInfo is a struct containing paths to the required files; the NMR Experiment Info file, the NMR Calibration Info file, and the Sample Metadata file.

These files are .xls files containing the data for import, ie, the path to the experiment folder, the calibration type, and extra sample metadata.

NMR Experiment Info template:

Sample ID, Experiment Number, Experiment Folder, Rack, Rack Position, Instrument, Acquisition Batch

NMR Calibration Info template:

Sample ID, Sample Type, Calibration Type, Calibration Ref Point, Calibration Search Min, Calibration Search Max

Sample Metadata template example:

Sample ID, Case/control, gender, age, etc

Will only import 1 pdata folder, as for small molecules this is all that is required.

Spectra objects are contained in the relevant map properties and are grouped by sample_type, ie 'plasma'.

eg. cpmg_plasma = imported.cpmg('plasma');

oneDWS_urine = imported.oneDWS('urine');

diffEdited_serum = imported.diffEdited('serum');

jres_plasma = imported.plasma('plasma');

Errors are saved to file, and can be found into the importErrors map using the same syntax as above.