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NMR Metabolomics
This example refers to an NMR dataset for metabolite profiling that was collected on Bruker 600 with a 5-mm TCI probe for CMP002 on 07/21/22. This is the name of the root directory that holds all NMR files generated for a dataset. Within this directory/folder, there are subfolders that are labeled numerically (1,2,3 ....) that contain the data generated for each sample x experiment. A metadata file provides sampleIDs, grouping information, and experiment information for each folder.
- 1.Dataset Number (Dataset_No):
- All C-CoMP datasets will be assigned an internal dataset number. Please request this number on the #dataset_number_requests slack channel following the instructions provided above.
- Metadata about the dataset (including Dataset number, method type, and data storage location) will be recorded in the C-CoMP Data Catalog.
- 2.Date (format: mmddyy)
- The date when the file was generated (the date of the instrument run)
- 3.NMR Spectrometer Type (NMRSpectrometerID)
- 4.Probe Type (ProbeID)
- 5.Experiment Type (ExperimentTypeID):
- This field will be either P (Profiling using one-dimensional experiments or J-resolved experiment) or A (Annotation using two-dimensional experiments).