isotope_envelope
Coarse isotope pattern of a peptide or of an elemental formula (C29H31N7O, as a compound's formula reads): the relative heights and masses of its M, M+1, M+2 … peaks as an instrument that does not resolve isotopic fine structure sees them, computed by per-element convolution from natural abundances (validated against OpenMS).
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| _files | No | The project: record references shaped like _subject. Their records become library documents a tool names in sequences/parts/document; a trace or alignment is found by file name. | |
| charge | No | protons added; masses then include them (divide by the charge for m/z). | |
| formula | No | elemental formula of a neutral compound (C29H31N7O; isotopes as C[13]); give this or `sequence`. | |
| _subject | No | The record to act on: exactly one of sequence, accession (+source), sample (an id from list_samples) or file ({name, text} or {name, base64}); record_index picks one record of several. | |
| sequence | No | peptide, plain one-letter residues; give this or `formula`. | |
| maxIsotope | No | peaks to keep (M counts as one); 0 keeps every peak. |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| peaks | Yes | one row per peak: isotope index, mass, relative abundance (sums to 1) |