Automated evaluation and generation of calibration curves for multiple compounds
Chrom Cal is an advanced software solution developed by Mestrelab Research to automate and streamline the creation of calibration curves for accurate chromatographic quantitation. Fully integrated within the Mnova suite, Chrom Cal efficiently processes spectral datasets, plots integration areas against known analyte concentrations, performs statistical analyses to fit calibration lines, validates results based on pre-set criteria, and generates automatic reports and result files for downstream quantitation. This comprehensive approach enhances both efficiency and accuracy, effectively handling multiple compounds simultaneously.
Benefits:
- Easy generation of calibration curves for all the compounds in one run.
- Huge time saving on result reviewing, enabling a review-by-exception strategy.
- Better understanding and revision of the results taking into account the spectral context.
- Seamless transfer of calibration results to downstream analyses, avoiding transcription errors.
Features:
Automatic pick-up and grouping of spectral datasets for analysis
Chrom Cal is fully integrated in Mnova and can handle spectral datasets, extracting the information needed for calculating calibration curves without the need for data transcription into third-party software or spreadsheets. After data ingestion, Chrom Cal can detect and group samples from different compounds automatically based on an input CSV file, allowing calibration curves for those compounds to be generated in a single run.
Mestrelab Research: Mestrelab Mnova Gears - Chrom Cal - Automatic pick-up and grouping of spectral datasets for analysis
Powerful algorithms to fit calibration curves and evaluate results based on pre-defined quality requirements
Chrom Cal processes spectral data, integrates compound peaks, and fits calibration curves to data points in a fully automated fashion. Acceptance criteria, such as R² value thresholds or slope ranges, and cross-validation rules can be pre-defined in the method and evaluated at the end of the analysis to approve or reject calibration results. This allows control over the quality and linearity of results and speeds up the result reviewing process.
Mestrelab Research: Mestrelab Mnova Gears - Chrom Cal - Powerful algorithms to fit calibration curves and evaluate results based on pre-defined quality requirements
Live results in tables and plots
Calibration and validation results are displayed in a result viewer that allows both global and detailed review of the data. Users can navigate between compounds to check standard curve plots and parameters. Each data point on the graph is dynamically linked to results tables and spectra. Users can zoom in or out on the plot, include or exclude samples from the analysis, or correct peak assignments or integrations when needed, with results automatically recalculated.
Mestrelab Research: Mestrelab Mnova Gears - Chrom Cal - Live results in tables and plots
Multiple analysis outputs nicely generated and organized
Chrom Cal generates automatic CSV, Mnova, PDF, and HTML reports with calibration and validation results, saved in chosen locations along with metadata, logs, and settings, improving data management. Calibration results in JSON files feed downstream quantitative analysis, allowing extraction without manual transcription, reducing errors, and saving time.
Mestrelab Research: Mestrelab Mnova Gears - Chrom Cal - Multiple analysis outputs nicely generated and organized
