Thanks to the invaluable feedback from our customers, we’ve transformed Chrom Quality Control (Chrom QC) into a significantly more powerful solution for automated quality checks on sample batches. Our dedicated team has applied their deep expertise to deliver enhanced capabilities and a refined user interface ensuring a smoother, more efficient experience for you.
The new version of Chrom QC expands its capabilities for identifying and assigning peaks to either a consistent target across an entire batch of samples or to a unique target for each individual sample. Users can now choose from a broad selection of chromatograms, such as TIC, EIC, UV, PDA, BPC, and other trace types, and enjoy complete flexibility in selecting MS extraction functions, including injection parameters, polarity, and more.
Figure 1: New Chromatogram Parameters options.
It is now possible to define parameters for target recognition, allowing retention time (RT) to take precedence over other mass and structure-related information: m/z, molecular formula, SMILES and/or monoisotopic mass.
Figure 2: New Method Configuration options for target recognition.
This enhancement also introduces a new method called “Isobaric,” which combines RT and m/z data to detect and assign the target peak while discarding isobaric interferences.
Figure 3: New Isobaric method within the Chrom QC Settings.
Chrom QC 2.0 now gives you the flexibility to target a single constant across an entire batch or work with variable targets, streamlining identification, and boosting efficiency in your workflows.
Figure 4: Variable Targets setup example.
Additionally, Chrom QC 2.0 enhances the quantification of the target compound in two keyways: first, by enabling the use of target-specific calibration files that support both linear and quadratic regression models and second, by providing reporting in Mgears Viewer on unknowns (impurities), see also section below on Mgears Viewer improvements.
Figure 5: Constant target quantification example.
Figure 6: Variable Targets quantification example.
As Chrom QC 2.0 introduces more advanced methods for target detection, assignment, and quantification, users will notice the addition of new quality control features, including Peak Symmetry as a key parameter.
Figure 7: Quality Controls option within the Chrom QC Settings.
To support users in navigating the increased flexibility of these new features, the system now provides contextual warning and explanatory messages, helping users understand and resolve issues more efficiently.
Figure 8: Warning message displayed when loading a JSON file that contains a different quantification chromatogram than the one selected in the LC/MS Extraction tab.
Figure 9: Total Unknowns and Detailed Unknowns tables.
Figure 10: New Comment editor.
Figure 11: Error reporting in the Alerts tab within the Results viewer.
Figure 12: Example of advanced (top) and basic (bottom) reports: the advanced report includes, by default, metadata, a summary, a primary identifier, and quality control and quantification results, while the basic report includes, by default, only a summary and quality control results.
Figure 13: New Analyze Again tool.