This page lists the changes made to the MOREPEAKS and MOREDISTRIBUTIONS programs. Please note that confidentially issues may force us to be nebulous about certain details. In these cases this will be indicated and the details will be made available at a later stage.
MP 1.0.6
MD v1.1.0
MP v1.0.5
MP v1.0.4
MP v1.0.3
MD v1.0.2
MD v1.0.1
MD v1.0.0
MP v1.0.2
MP v1.0.1
MP v1.0.0
MP 1.0.6
MOREPEAKS v1.0.6 – User manual and bug fixing
A user manual is now added to MOREPEAKS and some bugs were fixed for peak tracking.
Major updates
- A user manual is available.
Minor updates
- In the last updates some bugs were introduced into the 2D peak-tracking algorithm and should be fixed now.
MD v1.1.0
MOREDISTRIBUTIONS v1.0.1 – Molecular weight information
MOREDISTRIBUTIONS now provides the user with the Mn, Mw and polydispersity of each found feature within the sample.
Major updates
- Feature mining provides molecular weight information for each found feature.
Minor updates
- Fixed some bugs that occurred while using HDC dispersion corrections.
MP v1.0.5
MOREPEAKS v1.0.5 – Critical pair resolution and bug fixing
Users now have the options to select the critical pair resolution in the pareto assessments and some minor bugs were fixed.
Major updates
- The pareto assessment now lets the user choose the lowest resolution in the chromatogram, or the critical pair resolution, as a criterium.
Minor updates
- Fixed some minor bugs.
MP v1.0.4
MOREPEAKS v1.0.4 – Hotfix
The average resolution didn’t work for one-dimensional separations. This is now fixed.
Minor updates
- Fixed a bug where the average resolution didn’t work for one-dimensional separations.
MP v1.0.3
MOREPEAKS v1.0.3 – Allow different resolution metrics
MOREPEAKS can now provide the sum and average resolution between peaks, instead of only the product of resolution. This allows for a more fair comparison when overlapping peaks are present in the chromatograms.
Major updates
- The sum and average resolution can now be selected in the settings tab.
MD v1.0.2
MOREDISTRIBUTIONS v1.0.2 – Guided chemical composition selection
MOREDISTRIBUTIONS now guides the user through chemical composition selection
Major updates
- Added an extra tab where chemical compositions with similar masses are automatically proposed for the repeating unit and found compositional series.
- This tab allows the addition of the repeat unit or adduct by ion-exchange or removal of adduct masses.
MD v1.0.1
MOREDISTRIBUTIONS v1.0.1 – Molecular weight information
MOREDISTRIBUTIONS now provides the user with the Mn, Mw and polydispersity of each found feature within the sample.
Major updates
- Feature mining provides molecular weight information for each found feature.
MD v1.0.0
MOREDISTRIBUTIONS v1.0.0 – First release of the software
MOREDISTRIBUTIONS is available for download at Zenodo. The software includes an automated feature mining tool for polymeric distributions and calibration lines for HDC and SEC can be stored and used.
Major updates
- Feature mining tool is available.
- Calibration lines for SEC and HDC can be stored in the software.
MP v1.0.2
MOREPEAKS v1.0.2 – Bug fixing on solver functions
Hotfix on the solver function for the mixed-mode model. Steps within the new solver were to small to make a difference in the approximation of the mixed-mode model. Steps have been made slightly larger.
Minor updates
- Solver for the mixed-mode model takes slightly larger steps.
MP v1.0.1
MOREPEAKS v1.0.1 – Bug fixing on 1D peak tracking
Hotfix on 1D peak-tracking. Due to the update of adding m/z that need to be excluded, peak-tracking went wrong when no values were filled in.
Minor updates
- Bug in peak-tracking has been fixed.
MP v1.0.0
MOREPEAKS v1.0.0 – First release of the software
MOREPEAKS is available for download at Zenodo. Last functionality is added.
Major updates
- Fitting retention modelling is now possible with a multistart. These spreads out the starting points when fitting retention parameter and makes the parameters more reliable.
- Second dimension times are now put in in seconds instead of minutes, making it easier to load in GC data where otherwise fractional minutes had to be filled in.
- Search windows for all retention parameters can be adjusted by the user.
Minor updates
- Loading in mass spectral data has been made more robust.
- Minor bug fixing has been done.
