Set up an analysis
Bottle types, OpenLab .pmx, CalGroup, doses/fortified, report workbooks, Analyze.
An analysis is a method plus a batch of bottles. The method says what to look for and how to build the curve. The batch is the sequence you actually ran.
Bottle types
Quanto has five analysis categories. Cap color in these drawings matches the method defaults (silver blank, coral calibration, blue QC, green sample, steel-blue solvent).
| Type | What is in the bottle | What Quanto does with it |
|---|---|---|
| Blank | Solvent or matrix. Optional ISTD spike. | Confirms the target is absent. Not a curve point by itself. With Origin = Blank offset, its response becomes the curve intercept — see Blank offset. With Blank corr, its on-curve concentration can be subtracted toward NativeConc — see Blank concentration. |
| Calibration | Known target amount. Dose name C1, C2, … | Builds the curve. |
| QC | Known target amount, treated as a check. | Read from the curve. Recovery / residual flags. |
| Sample | Unknown amount. | Read from the curve. Reported concentration. |
| Solvent | Solvent vial — not a method blank. | Read from the curve like Sample. Not used as a Blank use source. Blank-concentration subtraction is not applied to Solvent results (even when Blank corr is on). Blank offset can still apply through the shared curve. |
Blue drops in the drawings are target analyte. Pink drops are ISTD. A bottle can hold several analytes; each analyte has its own curve.
Blank vs Solvent (short): use Type Blank for method / matrix blanks that should feed Blank offset or Blank corr. Use Type Solvent for a solvent check vial you only want to read from the curve — it will not subtract as a blank and will not supply blank bottles.
Build the method
Method → Load / Import
- Open a saved Quanto package (
.qtm), or - Import a vendor method (MassHunter, MassHunter data method, ChemStation
.M, OpenLab CDS.pmx, SCIEX WIFF), or - Append another method as a new AcqKey (second instrument or second acquisition method).
Then check these method tables:
| Table | Set this |
|---|---|
| Analytes | Name, type (Target / ISTD / Surrogate), units, extraction window |
| Quants | QntKey (ion / transition), curve fit, which ISTD Quant to use |
| Doses | Shared names: C1…C5 for curve levels, reserved IS for the ISTD spike |
| Quant doses | Which levels that Quant actually uses on the curve |
| Sample types | How file names / metadata become Blank, Calibration, QC, Sample, or Solvent (there is no separate Spike / StdAdd sample type) |
| AcqKeys | One set per imported method or instrument |
| CalGroup | Optional label that groups bottles that share one calibration story (see CalGroup & standard addition) |
| Calibration mode | Initial calibration (one curve) or Bracketing (a curve per cal set) |
| CalGroup Mode | Per group: Calibration (normal curve) or StdAdd (standard addition) |
A Quant with no ISTD link is ESTD. A Quant that points at an ISTD Quant is ISTD. You can mix both in one method.
Fortified amount = dose. When a Calibration, QC, or other known-level bottle has a dose, that known amount is the dose used for recovery (RecPct). You do not need a separate “spike” sample type — put the known amount on Dose.
Report workbooks: on the Samples grid you can multi-select which report workbooks run for each bottle (see Reports, import, and export).
Load the bottles
- Batch → Add samples and pick the data files (or a sequence folder).
- Each file becomes one sample. Type and dose are matched from the method, then from the file.
- Fix leftovers on the Samples grid: Type, Dose, Dilution, AcqKey, SmpKey.
Calibration bottles must have a dose name that exists on the analyte. Samples and blanks usually have no curve dose; ISTD bottles still use dose IS.
Analyze
Analyze integrates, fits each Quant’s curve, quantitates, and flags. After that:
- Open the calibration plot for the current result.
- Clear Use on a bad cal point and Analyze again.
- Open Key Review when the same sample exists on several AcqKeys, QntKeys, or dilutions.
If you use blanks: set Origin / Blank corr / Blank use on the Quants grid before Analyze. After Analyze, check Blanks used, Blank b or BConc, and Warnings on the result.
Which guide next
| You are doing | Read |
|---|---|
| One instrument, no ISTD, C1–C5 then unknowns | ESTD initial calibration |
| ISTD spiked in every bottle | ISTD initial calibration |
| Cal, samples, cal, samples | Bracket calibration |
| Two instruments or several ions per analyte | Key Review |
| Re-run only some levels in later batches | Multi-batch dose responses |
| Spreadsheets, vendor files, Excel / PDF | Reports, import, and export |
| Blank response on the curve | Blank offset |
| Blank concentration toward NativeConc | Blank concentration |
| Several curves / standard addition in one batch | CalGroup & standard addition |
| Pass/fail and recovery flags | Result limits & flags |
| Method Validation pane | Method Validation |
Grid gestures (fill, sort, freeze) are in Grids.