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v1.2.0
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NMRium React Wrapper - 1.2.0 (2026-06-17)

Features

  • create a new integration workspace (0526a25)
  • select active tab (2aede5a)
  • update NMRium to version 1.10.1 (affdea5)
  • update NMRium to version 1.11.0 (09cc921)
  • update NMRium to version 1.12 (5823d14)
  • update NMRium to version 1.6.1 (f065a2c)
  • update nmrium to version 2.0.0 (eca7d11)
  • update NMRium to version 2.1.0 (bb1a7af)
  • update NMRium to version 2.2.0 (c4499b1)

Bug Fixes

  • debounce data-change event for SET_2D_LEVEL action (655fc1d)
  • load data (f58d35d)
  • skip data-change event for SET_2D_LEVEL action (703555c)
  • trigger data-change event when loading data (86c76d3)

NMRium release notes: new features and bug fixes

v2.2.0 — 2026-06-15 (c4499b1)

Features

  • Automatic peak picking for selected spectra — auto-picks peaks on the currently selected spectra
  • Spectrum color bullet in multi-spectra analysis table — visual color indicator added per spectrum row in the analysis table
  • Copy peaks table as TSV to clipboard — allows exporting the peaks table directly from the UI via clipboard
  • Differentiate mixed vs. empty values in meta info editing — when editing metadata across multiple spectra, mixed values are now visually distinguished from blank/empty ones
  • Intensity ratio relative to maximum absolute peak — peaks display now shows intensity as a ratio relative to the spectrum's highest absolute peak
  • Spectrum label in stack mode — spectrum labels are displayed directly in the stacked view and columns format
  • Numeric column formatting in spectra table — numbers in the spectra table are now consistently formatted
  • Edit meta info based on selected spectra — metadata editing now operates on the full set of selected spectra rather than just the active one
  • Improved external API settings — richer configuration options in the external APIs tab
  • Improved peak shape options — more control over peak shape parameters used in fitting/simulation
  • Peak shape parameter optimization by stages — staged optimization approach for peak shape fitting
  • Apply color changes to selected spectra — color changes now propagate to all selected spectra at once

Bug Fixes

  • Ensured nbPoints is always stored as an integer
  • Fixed filtering of 2D FT spectra
  • Handled potentially undefined info.experiment to prevent crashes
  • Fixed originalData being treated as optional when it should be mandatory
  • Fixed TypeScript typings for multiplet analysis

v2.1.0 — 2026-05-04 (bb1a7af)

Features

  • loadFileCollection imperative API — programmatically load a file collection into NMRium
  • NMR Prediction at 25 MHz — new low-field prediction frequency option
  • ¹³C assignment support — users can now add atom assignments in ¹³C spectra
  • Anchor-based baseline correction — redesigned baseline correction tool using anchor points
  • Delete 1D signal via Backspace — keyboard shortcut to remove a selected 1D signal
  • Form validation errors in footer — validation errors now surface in the footer with a count badge in the header
  • MoleculesPreferences component — new configurable preferences panel for molecules
  • Axis unit picker (experimental flag) — allows switching axis units
  • Scale conversion — new utility to convert between spectrum scales
  • Improved label stacking — lane reuse logic to prevent overlapping labels
  • Bulk remove/resurrect database spectra — actions to remove all or restore all spectra from a database record
  • New general settings form — replaced old settings form with a redesigned implementation
  • Baseline algorithm expansion — Whittaker, cubic, and Bernstein algorithms now supported alongside existing options
  • Axis customisation — supports custom axis display settings

Bug Fixes

  • Fixed <sub> tag rendering in SVG publication strings
  • Corrected database filtering when the "invert" action is active
  • Fixed active spectrum index mismatch with internal state
  • Ensured preferences load before state is applied
  • Form checkbox reset now works correctly
  • Handles non-string info.solvent values gracefully
  • Fixed hover range on peaks line in spread mode
  • Removed max limit on peak label margin in general form
  • Prevented assignment edits on ranges without a signal
  • Fixed rescaling of predicted 1D spectra
  • Resolved overlapping assignment labels
  • Fixed simple-click selection for STOCSY
  • Removed unexpected scrollbar in the new workspace dialog
  • Fixed contour level update for 2D spectra after FT processing
  • Used absolute sum for 1D projections
  • Applied correct deep-pink color for NOESY/ROESY spectra
  • Fixed iframe document access via ref callback before portal render

v2.0.0 — 2026-03-05 ⚠️ BREAKING (eca7d11)

Breaking Changes

  • The data prop on NMRiumProps has been replaced by state and aggregator props. Integrations passing a data prop must be updated.

Features

  • Auto-processing tab in general settings
  • Databases tab in general settings
  • Spectra colors pane in general settings
  • Tools bar panel in general settings
  • Customizable spectrum info block style — pass CSS overrides to the info block
  • Custom label annotation updates — annotations now update live as labels change
  • getNMRiumFile method exposed on the NMRium imperative API
  • External APIs tab in settings
  • Title block tab in settings
  • Improved 2D FT spectrum rendering speed
  • Improved dialog validation with error boundary support

Bug Fixes

  • Fixed text selection bug inside dialogs
  • Fixed general settings form validation and submission
  • Fixed CSS-in-JS selector syntax causing style bugs
  • Replaced useEffect with useMemo for derived filter section state

v1.12.0 — 2026-02-17 (5823d14)

Features

  • "n" shortcut and tooltip for the inset tool
  • Custom label tooltip support
  • Export tab in settings dialog
  • General tab & header in general settings
  • Import filters tab in settings
  • Nuclei tab in general settings
  • Toolbar auto-collapse when panel header overflows
  • New general settings form base (refactored foundation)
  • Panels tab in settings
  • Improved information panel header
  • Ranges: forward options to publication string renderer
  • 1D assign actions shown in 2D — assignment actions appear next to the cursor in 2D view
  • Publication string feedback incorporated from user testing

Bug Fixes

  • Prevented unnecessary rendering of experimental settings dialog
  • Fixed double-click panel collapse
  • Fixed general settings save/apply flow
  • Made ACS options object optional
  • Fixed publication string preview alignment with chart
  • Reset activeSpectra and selectReferences state before loading new data
  • Updated dependency versions

v1.11.0 — 2026-01-27 (09cc921)

Features

  • Automatic atom labeling in molecular structures
  • Archive detection by file header instead of extension (more robust .nmrium file loading)
  • Cut spectra analysis tool
  • Save to NMRium Archive v1 format
  • Molfile V2 and V3 export support

Bug Fixes

  • Prevented use of .nmrium as a raw file source
  • Skip contour calculation when Z data length is zero
  • No longer throws when molecules are missing from archive
  • Ignored double-click from label edit form in molecule modal
  • Fixed spectra selection order to match sorted spectra list
  • Fixed structure rendering with correct coordinates
  • Fixed z-index and DOM order for draggable components and custom label edit popup
  • Fixed NextPrev slider width measurement inside modals
  • Set a safe minimum contour level to avoid crashes
  • Synced assignment labels correctly

v1.10.1 — 2025-12-12

Bug Fixes

  • Fixed molecule display when no active tab is selected

v1.10.0 — 2025-12-11 (affdea5)

Features

  • Improved IUM integration
  • Simplified 1D assignment workflow — redesigned for clarity and usability
  • Form library migration — migrated forms to TanStack Form + Zod for better validation

Bug Fixes

  • Guard against running range-cut tool without a selected 1D spectrum
  • Clear assignments when selected molecule atoms are removed
  • Fixed rendering of 1D traces over 2D spectra
  • Suppressed unhandled rejection errors from clipboard reads
  • Fixed filter temp data handling
  • Improved TypeScript typings for zone detection
  • Ensured even row count when acquisition data is incomplete
  • Prevented zone tool from activating on 1D traces
  • Removed any types in 1D and 2D components
  • Fixed peak edition z-index above annotations
  • Reset current workspace correctly after removing the active one
  • Improved active spectrum handling logic and types
  • Fixed local mol update in prediction panel on load

v1.9.0 — 2025-11-25

Features

  • Richer custom info for database-resurrected spectra — additional metadata copied on resurrection
  • Database entry info display — shows metadata associated with a database entry
  • Flattened custom info object when resurrecting spectra from the database
  • Improved multiple spectra integration tooltip

Bug Fixes

  • Increased J max value for multiplet analysis
  • Return empty array (instead of error) when active spectra nuclei are undefined
  • Validate SMILES/Molfile parsing before use

v1.8.0 — 2025-11-19

Features

  • Flat NMRium archive structure support (adapted to new archive layout)
  • Range assignment labels from custom atom labels
  • Clear molecule custom atom labels action
  • Improved molecule view options

Bug Fixes

  • Added missing 1D and 2D tools to general and workspace settings
  • Fixed heavy atom assignment
  • Improved peak picking accuracy in ranges
  • Prevented 'space' key from triggering unrelated focused UI elements
  • Fixed show/hide of custom labels over floating molecule

v1.7.0 — 2025-10-31

Features

  • Additional signal kinds added to the signal kind selector
  • DB meta information copied to customInfo on spectrum resurrection
  • Dimmed non-signal elements (peaks and integrals) for clearer visual focus
  • 2D Y-axis unit label displayed
  • Carbon label hidden when custom labels exist for cleaner structure display
  • Experimental NMRium archive file format support

Bug Fixes

  • Fixed trace assignment in 2D spectra
  • Auto range picking passes proton count as integration sum when a molecule exists
  • Fixed Sine Bell (SSB) parameter handling for Bruker format in auto-processing
  • Corrected highlighting of assigned 1D ranges
  • Fixed multiplicity tree positioning in stack mode
  • Fixed multiple calls to readNMRiumObject inside NMRiumStateProvider
  • Fixed OCL property name for structures in database (ocl not oclid)
  • Applied correct file extensions for .tsv, .svg, and .png exports
  • Removed overly strict URL validations
  • Fixed 2D shift rollback before reapplying

v1.6.1 — 2025-10-16 (f065a2c)

Bug Fixes

  • Solvent suppression now applied only to ¹³C spectra (not all nuclei)

v1.6.0 — 2025-10-14

Features

  • Carbon solvent labelling — solvent peaks labelled in ¹³C spectra

Bug Fixes

  • Fixed native ESM support in pdnd (pragma drag-and-drop) via package wrapper

v1.5.0 — 2025-10-12

Features

  • Hide labels of overlapping peaks — prevents cluttered peak label rendering
  • Improved peak overlap detection
  • Integrals shown by default only for ¹H spectra
  • Peaks shown by default only for ¹³C spectra

Bug Fixes

  • Fixed correct assignment and highlighting of homoNuclear nuclei

v1.4.0 — 2025-10-09

Features

  • Yellow highlight for assigned 2D signals
  • CT exports with alias atoms
  • Improved publication string export options
  • Range assignment popup positioned near the cursor

Bug Fixes

  • Clear structure query now correctly resets the hexagon icon state
  • Fixed 2D assignment for both X and Y axes
  • Fixed zone assignment popup positioning
  • Debounced peak picking; set minMaxRatio default to 0.01
  • Fixed dialog content styles rendering with fallback
  • Prevented duplicate entries in export/import menus
  • Recalculate range integrations when the sum changes
  • Reverted auto peak-picking threshold back to 0.05
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