covnmr_qnmr_advanced
qNMR beyond the internal standard: ERETIC, PULCON, or a full uncertainty budget. For the ordinary internal-standard determination use covnmr_purity.
`method` selects which, and which arguments are read:
* "eretic" -- electronic reference signal, no reference compound in the
tube. Needs `analyte_integral`, `eretic_integral`,
`eretic_response_factor`, `analyte_protons`, `analyte_mw`, and
`sample_mass_mg` / `sample_volume_ml`. Returns concentration_mm, mass_mg,
weight_percent.
* "pulcon" -- quantification against a reference measured in a SEPARATE
tube, via the reciprocity principle. Needs `analyte_integral`,
`analyte_protons`, `analyte_mw`, `reference_integral`,
`reference_protons`, `reference_conc_mm`, and optionally the T1, recycle
delay and field values. Returns concentration_mm, concentration_mg_ml and
BOTH correction factors (`t1_correction_factor`,
`field_correction_factor`) -- check them, that is where an over-short
recycle delay shows up.
* "uncertainty" -- an eight-source GUM budget for a standard internal-
standard result. Needs `analyte_integral`, `standard_integral`,
`standard_conc_mm`, `standard_protons`, `analyte_protons`, `analyte_mw`,
`standard_purity`. Returns the per-source `components`,
`dominant_source`, `combined_u_rel` and the k=2 expanded uncertainty.
Each method returns a DIFFERENT key set; `method` is echoed back. An
unrecognised `method` returns status "error" naming the three supported.
Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| method | Yes | ||
| api_key | No | ||
| analyte_mw | No | ||
| analyte_t1_s | No | ||
| reference_t1_s | No | ||
| sample_mass_mg | No | ||
| analyte_protons | Yes | ||
| eretic_integral | No | ||
| recycle_delay_s | No | ||
| standard_purity | No | ||
| analyte_integral | Yes | ||
| sample_volume_ml | No | ||
| standard_conc_mm | No | ||
| standard_protons | No | ||
| analyte_field_mhz | No | ||
| reference_conc_mm | No | ||
| reference_protons | No | ||
| standard_integral | No | ||
| reference_integral | No | ||
| reference_field_mhz | No | ||
| eretic_response_factor | No |
Output Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |