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Changelog

All notable changes to IsotopeTrack are documented here.

v1.10.7 — 2026-07-17

  • Memory to the path folder
  • Updating the user guide
  • Removed the redundant display mode type in composition results node
  • Relocated histogram making stuff to shared_plot_utils instead of keeping the repetition
  • Heatmap now shows changes for when we have change the data type (bug fix)

v1.10.6 — 2026-07-10

  • Adding a cut y axis for some plots
  • Ability to highlight and color individual rows in heatmap and correlation matrix node
  • default set to linear bins and no log base 10 on the x axis
  • A warning message about bars/bins getting swallowed by the y axis cuts (user still allowed to make the cut)
  • Prevention of the user from making cuts to y axis when log base 10 applied on y axis along with message

v1.10.5 — 2026-06-25

  • adding preview figures and you can keep all the figures from a single node figure
  • Autosave (disable) the same for the homescreen
  • uniform some plot setting
  • save project include all the figures in a single node
  • heatmap you can display SD
  • easy connection with lines
  • if multiple windows are open and they have the user did prepared some batch samples the window that is saved will have the results from different windows

v1.10.4 — 2026-06-22

  • major upgrades to ternary (colors, less confusion, replace hexbin)
  • small bug fixes here and there (other results types)
  • added the Apply/done feature (great)
  • added customizable autosave, cause that makes app lag
  • Enable opening projects via double-click.
  • Implement auto-save for minor changes; restrict large data saves.
  • Add standard "Save" and "Save As" functionality.

v1.10.3 — 2026-06-17

New Features

  • Add home screen, utils package split
  • Add Welcome/Home screen (recent projects, docs/paper/GitHub links, show-on-startup) + recent-projects tracking
  • Add toast notifications for project save, load, autosave, and clean export
  • Add home panel on the empty plot area: recent saved projects + recover-unsaved-session card (replaces startup recovery modal)
  • Add canvas empty-state hint ('drag a result block onto the canvas')
  • new non-visual utils/ package; move app_version + isobaric_correction; split logic out of unit.py (utils/unit.py) and dilution_utils.py (utils/dilution.py)
  • Fix: Compound Poisson LogNormal now uses the per-isotope sigma from the parameters table instead of a hardcoded 0.55 (falls back to 0.55 when sigma <= 0)

v1.10.2 — 2026-06-16

New Features

  • Add test files for some function (need more to be added in new version)
  • Log file improve you can trace output for each window open
  • fix bug with the bundle pyarrow

v1.10.1 — 2026-06-13

New Features

  • "Results" button is highlighted when there are unsaved modifications
  • All application print() output replaced with structured logging (logs/*.jsonl)
  • Example datasets moved to a dedicated GitHub release, slimming the repository
  • Developer/build dependencies split into requirements-dev.txt
  • Documentation reference pages now auto-generated from source (docs_gen.py)

v1.10.0 — 2026-06-11

New Features

  • Particle filter added to the results
  • Isobaric correction module
  • Filter for non-linear peaks
  • Import multiple folders inside a main folder at once

Improvements

  • Added legend to network results figure
  • Cluster results now saved with project

v1.0.9 — 2026-06-09

Bug Fixes

  • Fixed bugs with table parameters
  • Fixed bugs in results figures

v1.0.8 — 2026-06-06

New Features

  • CLI support — app can now be launched from terminal with arguments:
  • Load project files directly
  • Load Nu and TOFWERK data files
  • Select isotopes and presets via command line
  • See tools/cli_utils.py for details
  • Isobaric correction module (still in development)

Improvements

  • Improved Windows performance — replaced QTableWidget with QTableView in main window reducing lag significantly
  • Theme file moved to tools/ for better organization

v1.0.7 — 2026-06-01

New Features

  • Cluster analysis added option to test all clustering methods at once

Improvements

  • Particle concentration per mL now reported in results figures
  • UI improvements in the main window

v1.0.6 — 2026-05-30

New Features

Version checker app now automatically checks for newer versions on startup Cluster analysis new metric scores added

Improvements

Updated main window UI Standardized Results plot dialogs with a four-button UI contract (Plot format settings, Configure plot quantities, Reset layout, Export figure) across: Ternary plots, Correlation Matrix, Concentration, Network, Pie Chart, Heatmap, Single/Multiple Cleaned right-click menus to avoid duplicating bottom-button actions while preserving quick toggles and isotope label controls

Bug Fixes

Fixed memory leaks across multiple modules Fixed errors and bugs in the AI results module Fixed mass method — users can now select a new isotope after an initial selection Fixed cluster visualisation bugs Fixed requirements

2026-05-30 (dev)

New Features

  • Version checker app now automatically checks for newer versions on startup
  • Cluster analysis new metric scores added

Improvements

  • Updated main window UI
  • Fixed cluster visualisation bugs

Bug Fixes

  • Fixed requirements
  • Fixed memory leaks across multiple modules
  • Fixed errors and bugs in the AI results module

2026-05-27

Bug Fixes

  • Fixed memory leaks across multiple modules
  • Fixed errors and bugs in the AI results module
  • Fixed mass method — users can now select a new isotope after an initial selection

2026-05-22

Standardizes several Results plot dialogs around the four-button UI contract:Plot format settingsConfigure plot quantitiesReset layoutExport figureAlso cleans right-click menus to avoid duplicating bottom-button actions, while preserving quick toggles and isotope label controls.Implemented the feature for:-Ternary plots-Correlation Matrix-Concentration-Network-Pie Chart-Heatmap-Single/MultipleMinor rendering bug with the x axis rotation option, easy fix and will be done.Manually tested migrated plots after merging latest dev:Network, Correlation Matrix, Concentration, Heatmap, Triangle, Single/Multiple, Pie chart.

v1.0.5 — 2026-05-22

Bug Fixes

  • Fixed atomic notation rendering inconsistency across platforms

v1.0.4 — 2026-05-21

New Features

  • Window titles — each window now displays its own name in the title bar
  • CPLN quantiles — implemented Compound Poisson Log-Normal quantiles from SPCal lookup table (cpln_quantiles.npz)
  • Detection method info — added additional information displayed in the detection method panel

Bug Fixes

  • Fixed main window: the background bug, when the user calculate the background using window size
  • Fixed bar plot display order — elements now appear in the correct order

Internal

  • Automated CI/CD pipeline for macOS and Windows builds
  • Added version.py to update version across all files in one command

v1.0.3 — 2026-05-19

Improvements

  • Integrated data points are now shown directly in the main window results
  • Updated cluster analysis with improved metrics

Bug Fixes

  • Fixed several rendering and interaction bugs on the results canvas

v1.0.2 — 2026-04-30

Main Window

  • Full light / dark theme toggle with live switching across all dialogs and widgets

Single-Ion Analysis (SIA)

  • Detection parameters now configured independently per isotope

Export

  • CSV export supports multiple unit systems (ag, fg, pg, ng · amol, fmol, pmol · nm, µm)
  • Export includes additional analysis detection parameters

Peak Detection

  • Added integration threshold method
  • Added midpoint and watershed separation
  • Added Aiken iterative threshold method
  • Detection engine now uses Compound Poisson Log-Normal as the primary model
  • Implemented result caching — significantly reduces processing time on large datasets

Signal Time Scan

  • Exclusion regions can now be defined per sample and per isotope

Ionic Calibration

  • Mass range mismatches detected and reported for Nu Vitesse data
  • Individual calibration points can be excluded interactively

Transport Rate Calibration

  • All three calibration tabs unified in a single window

Results Canvas

  • Plot backends unified: Matplotlib and PyQtGraph for interactive plots
  • Clustering module improved with more control over distance metrics and linkage

v1.0.1 — 2026-03-11

New Features

  • Results Canvas completely redesigned with three new figures:
  • Network — multi-element particle relationships
  • Concentration — particle concentration overview
  • Matrix — element correlation matrix
  • Intel Mac support — dedicated native bundle for Intel-based Macs (x86_64)
  • Faster project saving and loading

Bug Fixes

  • Fixed multiple bugs in the Results Canvas display
  • Fixed several issues in the main window
  • Fixed Windows lag and slow response

v1.0.0 — 2025-11-21

First public release of IsotopeTrack for macOS and Windows.