> For the complete documentation index, see [llms.txt](https://c-comp.gitbook.io/data-management-handbook/llms.txt). Markdown versions of documentation pages are available by appending `.md` to page URLs; this page is available as [Markdown](https://c-comp.gitbook.io/data-management-handbook/file-naming-conventions/nmr-metabolomics.md). # 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.

### Field Definitions 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). --- # Agent Instructions This documentation is published with GitBook. GitBook is the documentation platform designed so that both humans and AI agents can read, navigate, and reason over technical content effectively. Learn more at gitbook.com. ## Querying This Documentation If you need additional information that is not directly available in this page, you can query the documentation dynamically by asking a question. Perform an HTTP GET request on the current page URL with the `ask` query parameter, and the optional `goal` query parameter: ``` GET https://c-comp.gitbook.io/data-management-handbook/file-naming-conventions/nmr-metabolomics.md?ask=&goal= ``` `ask` is the immediate question: it should be specific, self-contained, and written in natural language. `goal` is optional and describes the broader end goal you are ultimately trying to accomplish on behalf of the user. GitBook uses it to tailor the answer towards what is most useful for that goal. The response will contain a direct answer to the question and relevant excerpts and sources from the documentation. Use this mechanism when the answer is not explicitly present in the current page, you need clarification or additional context, or you want to retrieve related documentation sections.