Supported data
Quanto reads the files below. If a format is not listed, it is not a reader in this version.
Sample data
| Vendor | What you open | Modes that are read |
|---|---|---|
| Agilent MassHunter | .D folder with AcqData |
SCAN (including high-resolution full scan, treated as SCAN), SIM, MRM. Also TIC, spectra, sample information, and the sequence. |
| Agilent ChemStation | .D folder |
SCAN from data.ms, SIM from dataSim.ms. MRM is not read. No separate accurate-mass path. |
| Agilent OpenLab | .dx plus the sibling .MSScan.bin. Also children of .sirslt / .rslt. MassHunter .D folders are left to the MassHunter reader. |
SCAN, high-resolution full scan (as SCAN), SIM, MRM. Sample information from ACAML, injection.acmd, Contents.xml, and Devices.xml. |
| SCIEX | .wiff. One injection in a multi-sample file is file.wiff#index. |
Extracted chromatograms are MRM. The total signal can be SCAN, SIM, or MS/MS; Auto uses the vendor TIC. |
| Waters MassLynx | .raw folder (_HEADER.TXT or _FUNC*.DAT) |
MRM extracted chromatograms (Q1/Q3) and TIC. |
| Shimadzu LabSolutions | .lcd, .gcd, .qgd, .lrd |
MRM/SRM chromatograms. Full-scan spectra (scan, profile, and the related full-scan types). SIM spectra are not included. |
Shimadzu batch tables (.lcb, .qgb, .gcb) are not opened as sample data. Shimadzu method files (.lcm, .gcm, .qgm) are method imports, not sample chromatograms.
Accurate mass is the high-resolution full scan from MassHunter or OpenLab, and it is processed as SCAN. ChemStation, SCIEX, Waters, and Shimadzu do not add a separate accurate-mass chromatogram type.
Libraries for library search
| Format | What it is |
|---|---|
ChemStation .L folder |
PBM library folder (CONDENSE, FULL.D, HEADER). |
MassHunter .mslibrary.xml |
Library XML (compound and spectrum; masses and abundances). |
A path that is neither of these is rejected. .msp text libraries are not selected in Libraries. See Library search.
Methods you can import
See Import and export. Sample data and method files are different. A MassHunter .D can also be a method source when it contains MRM transitions, through Method → Load or import….