https://doi.org/10.1128/jcm.01122-24

• KMeans: First version of K-Means Algorithm is now available for all users
• Identification: A slider with prediction confidence cut-off values to Identification results view is added. Cut-off can be edited and saved
• Prediction Models improvements:
  • First version of re-train prediction models with new samples is now available for premium users
  • Now optimizaction information, if available, is displayed
• Users can now uploading zip files with open format files in it. Folder hierarchy is kept
• Collection: Add editor options to Usage Notes and Abstract fields
• Training: Youden Index is now available in ROC curve in training.

• Experiment new workflow: First version of the experiment view redesign project, which includes a data flow pipeline for selecting the three main processes before the peak matrix (Preprocessing, Outlier, and Train/Test set splitting).
• Outlier: With the new experiment workflow, selected outlier samples will be skipped in subsequent actions.

• Antibiotic Analysis Detection
  • Module enable for all Premium Users
  • Works with or without multicenter projects
• Mabritec Central:
  • Mabritec Central is now available for all Premium Users
  • Mabritec Central has now its own box in Bioanalsysis screen
• Average Spectra from Replicates: Advanced mode is now available. Now samples with the same name but in different folders are not mixed when grouping replicates.
• Performance: Improvements in “preprocessing” steps and “peak matrix generation” steps performance

https://doi.org/10.1007/s10096-023-04665-y

• Hierarchical Clustering:
  • Cut-off value can be now calculated in automatic or optimal mode.
  • Features dendrogram is now available when you build a matrix with peaks.
• Outlier detection:
  • A table with summarized analysis is now added.
  • User can now modify the STD value limits.
  • Samples can now be marked and saved as outliers within an experiment.

• Hierarchical Clustering & Dendrogram
  • PCA at HC: Now PCA data is displayed when retrieving HC
  • Size plot and graphs can be now edited by the user
  • Dendrogram: Color squares can be now edited by the user
  • Cut-off: User can set a custom cutoff value to detect the clusters
  • Summary Table: A new table is displayed summarizing the content of the detected cluster and how the actual categories/classes are distributed
  • Categories as Dendrogram Metadata: One or several columns can be displayed next to the dendrogram. Each column has one coloured rectangle per spectrum. Each rectangle color matches one of the actual categories/classes labelled for the spectrum. This way, it is easy to visually check the detected clusters (unsupervised) and the actual clusters (supervised categories/classes)
• Dual Tech: MALDI & FTIR
  • Now you can add your preferred technology at SignUp view
  • At User Profile section you can change now your preferred technology
  • Filter in Study List so MALDI-TOF or FTIR can be selected
• Antibiotic Hydrolysis Analysis
  • Support for Meropenem

• Premium users mode is now activated. All module and features are now unlimited for premium users.
• FT-IR data.
  • FTIR Quality Control Module: First version of QC test for FTIR data.
  • Inclusion of new default ranges and internal improvements in range selection with FTIR data.
  • FTIR Reproducibility Module: First Version of reproducibility Analysis for FTIR data.
• Algorithms.
  • Balanced Accuracy metric at confusion matrix is now calculated and displayed in confusion matrices.
  • PCA: Edit size, color and shape of displayed dots.
• Analysis.
  • t-test is now available in biomarker analysis as univariate analysis.
  • MALDI Biomarker Analysis Module have been redesigned.
  • SNP pairwise distance heatmap: First version of Single Nucleotide Polymorphism heatmap.

https://doi.org/10.1128/jcm.01049-22

https://doi.org/10.1128/jcm.01110-22