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5 changes: 4 additions & 1 deletion DOCS.md
Original file line number Diff line number Diff line change
Expand Up @@ -200,7 +200,8 @@ For additional information about configuration options and output file formats,
"ppm_tolerance": 5.0, // Optional[float] {default = 5.0}, tolerance (in p.p.m.) for DICE window around calculated precursor mass
// Optional[bool] {default = true}. Combine all charge states for quantification. Setting this to false
// quantifies each peptide-charge precursor in `precursor_charge` range (see below) separately
"combine_charge_states": true
"combine_charge_states": true,
"peptide_q_value": 0.01 // Optional[float] {default = 0.01}, maximum peptide-level q-value for reporting quantification results
}
},
"precursor_tol": { // Tolerance can be either "ppm" or "da"
Expand Down Expand Up @@ -367,6 +368,8 @@ The quant section is optional and should be specified only if TMT or LFQ is used
- **integration**: String. The method used for integrating peak intensities, either "Sum" or "Max" (default: "Sum").
- **spectral_angle**: Float. Threshold for the spectral angle similarity measure, ranging from 0 to 1 (default: 0.7).
- **ppm_tolerance**: Float. Tolerance for matching MS1 ions in parts per million (default: 5.0).
- **combine_charge_states**: Boolean. If true, combine all charge states for quantification. If false, quantify each peptide-charge precursor separately (default: true).
- **peptide_q_value**: Float. Maximum peptide-level q-value for reporting quantification results (default: 0.01).

Example:
```json
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