CSM JRES spectra Data object.
NMR JRES spectral Object. Contains X, PPM, PPM 2D scale and various metadata.
Extends csm_nmr_spectra; see csm_nmr_spectra for more information.
spectra = csm_jres_spectra( X, ppm, ppm_2D );
spectra = csm_jres_spectra( X, ppm, ppm_2D, 'name', name, 'is_continous', is_continuous, 'sample_ids', sample_ids, 'sampleInfo', sampleInfo, 'is_continuous', is_continuous )
| Variable | Type | Default Value | Description |
|---|---|---|---|
| *X | m*n | None | spectral matrix. |
| *ppm | 1*n | None | PPM Scale. |
| *ppm_2D | 1*n | None | JRES 2D PPM scale. |
| name | str | None | Name of the data structure. |
| is_continuous | bool | true | Whether the x scale is continuous |
| sample_ids | cell | {} | Sample IDs, use the numeric index to match to the row |
| sample_metadata | csm_sample_metadata | None | Metadata from import. |
| Variable | Type | Description |
|---|---|---|
| csm_nmr_spectra | csm_nmr_spectra | Csm NMR spectra object. |
| csm_nmr_spectra.X | m*n | spectral Matrix. |
| csm_nmr_spectra.ppm | 1*n | PPM Scale. |
| csm_nmr_spectra.ppm_2D | 1*n | PPM JRES Scale. |
| csm_nmr_spectra.name | str | Name for the spectra. |
| csm_nmr_spectra.sample_ids | cell | Sample IDs, using a numeric index. |
| csm_nmr_spectra.sample_metadata | csm_import_sample_metadata | Metadata from import. |
| csm_nmr_spectra.audit_info | csm_audit_info | Audit Info object. |
| Method | Description |
|---|---|
| csm_nmr_spectra.setPPM2D( ppm_2D ) | Assign a new JRES PPM to the object. |
Copyright Imperial College London 2019