RAMANMETRIX Software Documentation

Software releases

Version 0.4.1

🎉 New Features

  • Introduce interferent signals to EMSC model based preprocessing by labeling those spectra in interferent_sample column of metadata table and specifying their type in type column

  • Inverted X-axis option for all plots

InvertXaxis
  • Slider manual input option for all sliders
ManualSliderInput
  • Hard modeling (HM) for feature extraction by fitting selected peaks
HMOptions
  • Interface for setting fitted peaks for hard modeling
FittedPeak
  • Analysis of subtracted spectra (e.g. subtract control sample from treated)
SubtractSpectra

🐞 Bug Fixes

  • Step Data, metadata refresh after a new dataset upload
  • Quality filters title alignment

🔨 Other updates

  • Plot standard data ('standard', 'standard_intensity', 'reference_sample', 'interferent_sample', 'dark_bg') in 'Mean spectra (raw data)' plot
  • Despiking step, new interval for Despiking threshold slider
  • Quality plots, tooltips added
QualityTooltips
Version 0.4.0

ATTENTION! Model compatibility with previous versions is not supported!

🎉 New Features

  • Import functions into python 3.10.4 by importing server/pyRamanmetrix.py file, e.g. import pyRamanmetrix as rm (see Tools / Python module pyRamanmetrix)

  • Multi-response PLS regression (PLS2 and PLSW2A) models

  • Support of WITec (*.wip) files with Raman spectra (see Data Input / Data structure Types)

  • Difference spectra plot at model step

  • Export -> Default parameters in high-level expertise mode

🐞 Bug Fixes

  • Appearance of a blank screen at the first start

  • Support \ in file path in metadata table

  • Fix PLS2-DA decision-making for values outside of [0; 1] range

  • Avoid an error if a date cannot be recognized

  • Allow unsorted standard peaks in parameters.txt

  • Preserve zoom on saving figures as PNG

🔨 Other updates

  • Inclusion of wavenumber range boundary values
Version 0.3.5

🎉 New Features

  • added PLS2-DA (classification) and PLS1 (regression) models

  • changed design of the license window

🐞 Bug Fixes

  • updated labels order in scatterplot legend

  • avoid erasing imported raw data when the import of metadata fails

  • fixed breaking of the layout on window resize

Version 0.3.4

🎉 New Features

  • improved, fixed bugs and changed view for "included labels" feature in the model construction step

🐞 Bug Fixes

  • fixed errors for the sliders on the normalization and quality filters steps, that occurred when the selected calibration degree parameter is a decimal number

  • corrected typos in the tooltip blocks

Version 0.3.3

🎉 New Features

  • added possibility to use reference spectra for EMSC and quality check (should be marked using 'reference_sample' column in metadata) instead of the mean over the dataset (see reference_sample in the Metadata Table)

  • added SD to means.csv in results

  • added major vote predictions (if applicable) to results

🐞 Bug Fixes

  • fixed bugs related to float values used as labels

  • fixed problem with endless animation on downloads

🔨 Other updates

  • optimized default parameters

  • added link in the menu to the documentation website

  • displayed errors on upload/download data

  • updated About page: design and list of packages

  • general improvements on stability, updated dependencies

Version 0.3.2

🎉 New Features

  • improvements of data integrity, added md5 sum for models

  • support of JDX and Renishaw TXT files, support of Horiba XY and TXY maps (see Supported Devices)

  • display warnings when failed to import files

🐞 Bug Fixes

  • bugs fixed for test data report and voting after a quality check

  • fixed appearance of the scatter plot in the test data prediction

🔨 Other updates

  • added plot with calibration functions to the test report

  • improved scatterplot: one can choose a type of the scatterplot diagonal plot (line, histogram, distribution)

Version 0.3.1

🎉 New Features

  • added possibility to stop calculations at any step

  • aggregation of prediction results by voting

  • import metadata tables separately

🔨 Other updates

  • updated component for displaying backend errors

  • display notification about the new version

  • added voting results to the reports

minor bug fixes

Version 0.3.0

ATTENTION! This version requires new license file!

🎉 New Features

  • dark mode

  • possibility to link license by HDD instead of MAC-address (no conflict with VPN)

  • usage of all available labels to exclude data from model

🐞 Bug Fixes

  • some unexpected installation problems solved

🔨 Other updates

  • improved quality of the plots saved in PNG format
Version 0.2.3

🔨 Updates

New name and icon, added an average spectra to the model step, updated user interface, improved plots (see Interactive plots), and fixed bugs.

Version 0.2.2

🎉 New Features

  • Added 2-level cross-validation

  • Implemented automated optimization for a number of features

Version 0.2.1

🎉 New Features

  • Add 'shift' option on the Standard spectrum plot.

Other updates

  • Improved despiking algorithm
Version 0.2.0

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