fragment_ions
Theoretical MS/MS fragment ion ladder of a peptide: a, b, c from the N-terminus and x, y, z from the C-terminus, with neutral-loss and radical variants, at each charge up to a maximum (validated against pyteomics, cross-checked against OpenMS). Takes ProForma modification tags (a signed mass, a Unimod name, or UNIMOD:accession) on residues and termini.
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. | |
| _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. | |
| ionTypes | No | ion series to generate. | |
| sequence | Yes | peptide: one-letter residues, optionally ProForma tags, e.g. [TMT6plex]-PEPTM[Oxidation]IDE or [+229.162932]-PEPTM[+15.994915]IDE. | |
| maxCharge | No | highest fragment charge (every charge from 1 up to it). |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| ions | Yes | one row per fragment: ionType, index (residues), charge, name, m/z | |
| count | Yes | fragments generated |