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)

v0.38.0

0.38.0 (2023-06-08)

Features

• include 'view' object with the normal save (#2388) (f69d213)
• rename metaInfo to customInfo and reorder information panel (#2380) (1731ce4)

Bug Fixes

• correctly determine if a molecule is empty (#2403) (72e6979), closes #2400
• do not use p element in NoData component (#2401) (f86d42c)
• manual 'add range' crash when no spectrum is selected (#2399) (3ab5514), closes #2390
• manual coupling edition (#2384) (fb8b576), closes #2353
• show time domain spectrum if none of the selected spectrum is FT (#2370) (480d9de)

v0.37.0

0.37.0 (2023-05-26)

Features

• add onError callback to support errors caught by the boundary (32eea35)
• improve 2d assignments (#2357) (ff99d1e)
• improve floating structure initial position (#2378) (6312cf9)
• show information about the Spectra prediction (#2372) (6ecd8ab), closes #2367

Bug Fixes

• processing spectra on load (#2365) (15c22b7)