v0.45.0

0.45.0 (2023-11-24)

⚠ BREAKING CHANGES

• The NMRium component is no longer rendered inside an isolated shadow DOM. I depends on a style reset such as the one done by TailwindCSS (available in react-science/styles/preflight.css) to function correctly.
• remove commonJS build and update TS to 5.2 (#2670)

Features

• change mouse event to pointer event (5f65a4c)
• delete the phase correction trace (0a8331d)
• display spectrum vertically for the vertical phase correction (af0d95b)
• hide the integrals within ranges by default (7257d84), closes #2656
• hide the peaks within ranges by default (5492f8a)
• oxford instrument jcamp by filters (#2706) (42bc8e8)
• phase correction 1d traces (6b88bc4)
• phase correction traces for both directions (c625982)
• scale 2D phase correction traces (9cb5a1f)
• set two dimension pivot point (f530827)
• spectra multiple analysis chart (8cd9122)

Bug Fixes

• add peaks in manual range picking (#2668) (50de770)
• add range with no signals (#2703) (0365fdf), closes #2687
• build esm, not cjs (#2712) (00ac175)
• correct ranges-preferences to generate acs string (#2684) (d7c2dc1)
• detect negative in auto range picking (#2719) (86530ac)
• display title block correctly in Safari (a281edd), closes #2677
• Fid plotting (b67dfe7)
• filter spectrum columns correctly (785850a), closes #2675
• generating real data in the vertical slicing (7991f19), closes #2693
• integrals vertical zooms (cacfff4)
• jcamp tree filtering n wrong scale on F1 (#2761) (72447eb)
• load jcamp files correctly (#2752) (1a32500), closes #2751
• load spectrum n assignment from jcamp (#2754) (c8bee9c)
• manual peak picking pointer head position (4dfa666)
• open the log history automatically if we have error or fatal (5c7629e), closes #2755
• phase correction 2D slices (#2748) (110998a)
• read gyromagnetic ratio correctly (db978d9)
• resolve the conflict of the analysis modal correctly (#2727) (fe6a81c)
• set active spectra (4f0626b)
• shift spectrum 2D (#2744) (bd77ab4)
• slicing 1d left trace clip width and its container's zindex (f7e976a)
• support nmredata extension (#2692) (a2736cf)
• traces (0a8331d)

Miscellaneous Chores

• remove commonJS build and update TS to 5.2 (#2670) (82c871c)
• update react-science (#2700) (f918969)

v0.44.0

0.44.0 (2023-09-13)

⚠ BREAKING CHANGES

• rename key prefix 'origin' to 'original'

Features

• control the visibility of NMRium header items (7a24c77)
• delete range peak (045418d)
• display ranges peaks (5655c02)
• helper function to create action column (123377c)
• improve bruker files loading (#2662) (d3d231f)
• improve peaks and integrals preferences (123377c)
• improve ranges preferences (a8b397f)
• improve signal kinds for ranges and integrals (a8ca174), closes #2600
• improve zones preferences (4966d90)
• toggle 'ranges peaks' visibility and displaying mode (133de16)
• validate the option and the spectra based on the selected options (f5eb365)

Bug Fixes

• check peaks array before mapping (a43bfb7)
• consecutive selection (53fff90), closes #2664
• define sum options for ranges and integrals when initiating the spectrum (d1fc56f)
• do not raise an error if no 1D trace spectra are found (ac56101), closes #2643
• extract the number correctly from the editable column value (0e11fd6)
• full zoom out (#2640) (ff0361f), closes #2639
• integrals in fid data (1291818)
• recalculate integration when toggling or deleting filter (81d4388), closes #2637
• reduce min resolution for smart range picking (#2630) (f01d0e4)
• spectra calibration (f5eb365), closes #2566

Code Refactoring

• rename key prefix 'origin' to 'original' (adfe8d3)

v0.43.0

0.43.0 (2023-08-17)

⚠ BREAKING CHANGES

• NMRium is now a named export and some types were renamed for consistency

Features

• 2d Fourier transform (#2294) (40e1a4f)
• add integrals from Bruker 1D data (#2599) (0c5fda5)
• add molecule labels and improve speed of molecules (#2623) (ce9c7b9)
• add new way to display peaks (#2562) (12e88a1)
• cut integral (6ea9103)
• cut range (3a8856d)
• hook for enabling/disabling resizing with Shift key modifier (eb477d9)
• key modifiers listener (06f56ea)
• perform resizing only when Shift key is not active (ac14483), closes #2570
• report error contains debug state (#2555) (05e40c0)
• show label under floating molecules (#2554) (5c2ba0d)

Bug Fixes

• 2d shift filter (#2594) (b63fe93), closes #2591
• correct the integration sum for integrals and ranges (#2617) (7977041)
• do not render two buttons in ChangeSumModal (3f273d2)
• filters live preview (#2620) (b798502)
• improve prediction (#2613) (5f35c00)
• load good ones and catch error in the logger (#2616) (4413975)
• update react-science (#2593) (795ace9)

Code Refactoring

• move public types to their own file (a921a8b)

v0.42.0

0.42.0 (2023-07-27)

Features

• create Scroller component (128662e)
• format the number fields in the info block (#2546) (0e81e02)
• paste / import a list of structures (#2544) (f092df6), closes #2382
• scroll to the active nucleus spectra preferences (d71db46), closes #2547

Bug Fixes

• clamp SVG paths to avoid rendering issues (#2551) (b8fe1a4)
• save new workspace (#2541) (93cabc8)
• search should be by ideCode beside the other criteria (0e18164)
• use spectralWidth as an option to spectralWidthClipped jeol (#2553) (95de3b0)

v0.41.0

0.41.0 (2023-07-22)

Features

• 1D pan horizontally and 2D pan vertically and horizontally (#2498) (594e791)
• 1d spectrum simulation (#2513) (caf4cbd)
• add the "frequency" and spin system as "name" to the simulated spectrum info (#2530) (21b1e1b)
• create a workspace for simulation (#2532) (1ca5910), closes #2527

Bug Fixes

• autoExtendRange option and logs for simulation with signals are out of range. (#2507) (31c3844)
• baseline correction zones visibility (0f27e2f), closes #2348
• integral value editing if the sum 0 (#2464) (e6d6e0a)
• manual range multiplicity (#2535) (9aa7cd2)
• preferFt bruker data filtering was not working for 2D (#2538) (3663544)
• prevent clearing the molecule from the structure editor after changing the settings (8cb98a3), closes #2512
• unexpected errors in reducer crashing the app (dbd2b8c)
• update frequency for the simulated spectrum (#2534) (23958a0), closes #2533

v0.40.1

0.40.1 (2023-07-06)

Bug Fixes

• release: trigger new release (#2501) (5ba9c07)

v0.40.0

0.40.0 (2023-07-06)

Features

• open logger dialog automatically (b80a2d1), closes #2485

Bug Fixes

• some modal sizes (#2377) (7d114d9)
• unhandled error when clipboard read permissions are not granted (#2492) (41b4cd8)

v0.39.0

0.39.0 (2023-06-30)

Features

• add low res prediction (#2478) (44ff57e)
• allow to render NMRium without error boundary (#2489) (8bde9b9)

Bug Fixes

• close the 'range editing' model of the range or spectra deleted (0bc6183)
• extract and check id object correctly (56ec65a)
• log errors to the console to help debugging (#2486) (89cccd1)
• manual zones detection for predicted 2D spectra (#2487) (8da944b)
• peaks and integrals panels should be visible only in 1D mode (dded4f4)
• reset the selected tool to zoom when switching between spectra or nuclei (eee03ca)
• set preferences (24d7613)
• simulate spectra with negative chemical shift and catch some errors (#2488) (e677e06)
• spectra zones detection should be only on FT 2D spectra (293d2fb)
• validate JCAMP file URL correctly (82b4c42)

v0.38.2

0.38.2 (2023-06-22)

Bug Fixes

• auto (peaks and ranges) picking window size (2b6a045)
• check 'delta' is exists before call the toFixed function (#2437) (b46f6ec)
• check for the nucleus before extracting info from the atom (fecc3f8)
• check the meta file has an accepted mimeType (#2445) (2974e54), closes #2418
• disable the 'preview publication string' button when no ranges (0d5b6b7)
• display react-table empty row correctly (443f62e)
• do not prevent triggering onChange when props are changed (37dadf8)
• hide spectrum settings dialog if it's 2d Fid (5a780f6), closes #2424
• jcamp-dx generation n move filters to nmr-processing (#2386) (470abab)

v0.38.1

0.38.1 (2023-06-09)

Bug Fixes

• parse jcamp URL correctly (#2407) (714f1a6)
• spectra prediction (#2408) (45c52ba)