0.54.0 (2024-04-18)
- automatic two dimensions phase correction (#3022) (690971f)
- improve main toolbar tooltip (#3008) (dc5703c)
- improve spectra recoloring (#2997) (c446198)
- add more gyromagnetic ratio constants (#3006) (cf9cb10)
- create a simple signal if data length is smaller than 7 points (#3020) (c0b406d)
- crosshair label position (#3001) (9381c21)
- info pane appearance (#3005) (4fca536)
- set the same workspace for the base and current object, in case, the source is a nmriumFile (cafc51a)
- set the workspace settings from the nmrium object (acb20a6)
- vertical slicing on phase correction (#3015) (e1c7b7c)
0.53.0 (2024-03-22)
- create and edit assignment labels for ranges (#2971) (31297a2)
- set zoom in/out as the default behavior with Shift + scroll (#2975) (b5d28f6)
- avoid reselecting the tool if it's already selected (19f5857)
- Bruker 2D SER: fix imaginary data (#2977) (0a6c21d)
- ensure activeSpectrum and tempData are not null (9e50f1c)
- re-initialize FifoLogger instance when opening the modal (73f2750), closes #2981
- spectra simulation options validation (988dfec)
- Y axis in 2D jcamp from jeol delta (#2992) (6f0f2c5)
0.52.0 (2024-03-19)
- add missing dep (#2972) (72e969d)
- add missing dep (#2972) (72e969d)
- improve consistency of labels (#2970) (92fd75d)
- set the size correctly for real part in slicing function (#2973) (47233fc)
0.51.0 (2024-03-16)
- edit range peaks (#2953) (bcddb6e)
- enable spectrum selection only when the zoom tool is activated (#2957) (a650eac)
- improve multiple spectra analysis (#2946) (acce39e)
- two dimensions phase correction filter (#2930) (adb8098)
- zoom in/out with the mouse wheel (#2964) (a54569f)
- clear zoom history and hide filter options panel when apply FFT (#2947) (e7fb21f), closes #2923
- do not raise an error if no 1D trace spectra are found (#2944) (c141116)
- improve peak picking (#2949) (f169495)
- improve wrapping of small prediction panel toolbar (#2954) (31be6ba)
- pass the data to the filter before the filter affects it (#2948) (d8341e9)
0.50.1 (2024-02-26)
0.50.0 (2024-02-21)
- confirmation box (fe44670)
- exclude export the the rectangle over the spectrum in stack mode (b6f9a99)
- experiment type by pulse sequence (#2920) (7d51e12)
- improve info from Nanalysis n adapt bruker phase correction parameters (#2914) (348ed95)
- range select for j coupling (#2917) (2d033e8)
0.49.0 (2024-02-09)
- add a general preference for a popup logging level (7b532c1)
- add a link to NMRium videos channel (4ddf7fe), closes #2883
- detect baseline zones automatically (6358e89)
- display horizontal line at y = 0 for phase and baseline correction (fda80c5), closes #2870 #2871
- improve resurrect spectrum from publication string and avoid crash (#2879) (004d983)
- improve SVG exportation (#2882) (a974c15)
- invert actions (#2862) (3b18b4e)
- resize baseline zones (a3291b7)
- show assignment atoms over ranges (#2869) (63e7785)
- sort ranges by chemical shifts (d88c8c2), closes #2866
- split pseudo2D inversion recovery spectra (#2846) (ab43ee2)
- baseline correction options (44261ae)
- correct rollback spectrum behaviour (4f316a3), closes #2876 #2889
- prevent the refresh of the scale in baseline correction (cdeb286), closes #2872
- reorder sub matrices from bruker data n fix varian loading (#2847) (ef7e1b3)
- spectra preferences validation (788cb45)
0.48.0 (2024-01-26)
- allow save range with no signals (6f7bfad)
- allow to delete info.name and info.solvent (8fcfb77), closes #2823
- improve matrix exportation (8b57b9f), closes #2837
- select spectrum from the displayer (313c3bd), closes #2849
- copy image to clipboard in Firefox (21ce320)
- create info1D for projections (#2841) (1571b50)
- disable auto-translate of the NMRium component (#2859) (d5e178e)
- plotting the derived value (f176fc0), closes #2834
- reapply filters when applying spectra processing filter (14b344c), closes #2835
- refresh local molecule state after past a new one (1162900)
- refresh the X domain after hiding all spectra and then showing one (b7a80af)
- remove empty values from search key array (7fe44d2), closes #2831
- set a fixed virtual scrolling height for spectra table rows (15084d7), closes #2824
- validate spin system data (47c5fba)
0.47.0 (2024-01-11)
- custom color schema validation (cb0fa8c)
- customize the color scheme for spectra (cb0fa8c), closes #2794
- show/hide the value of integrals (f2a0ce3), closes #2797
0.46.1 (2023-12-19)
- Blueprint-related warnings (#2808) (6618ec1)
- combined approach in manual range picking (51f88dd)
- resizing range to the same size should not add a new range (#2807) (592fe11)
0.46.0 (2023-12-14)
- load files in parallel (82a15d4)
- remap existing assignments when molecule is edited (#2779) (840c3e5)
- auto phase correction (82a15d4)
- auto phase correction (#2787) (82a15d4)
- check spectrum has imaginary part before calling xMultiply (e8d736b)
- could loose assignement of expanded hydrogens (#2793) (cde96e1)
- filter out bruker experiments without required files to process (a40c318)
- inverted fft spectrum-migration to 6 version (#2766) (1995e6d)
- large negative spectra peak scale (3262b0d), closes #1657
- large negative spectra peak scale (19fd560), closes #1657
- negative peak picking (c35089f)
- render the info value correctly in the info block (d51ce3d)
- set the first FT spectrum for 2d projection if none selected (#2770) (2d3fcd8)
- title block field filter (0345ccb), closes #2778
- update react-science with Modal fix (5a74af1)
- zero filling size list (d44f519)
- zoom out (76fb39b)
0.45.0 (2023-11-24)
- 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)
- 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)
- 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)
0.44.0 (2023-09-13)
- rename key prefix 'origin' to 'original'
- 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)
- 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
- rename key prefix 'origin' to 'original' (adfe8d3)
0.43.0 (2023-08-17)
- NMRium is now a named export and some types were renamed for consistency
- 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)
- 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)
- move public types to their own file (a921a8b)
0.42.0 (2023-07-27)
- 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
- 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)
0.41.0 (2023-07-22)
- 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
- 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
0.40.1 (2023-07-06)
0.40.0 (2023-07-06)
- some modal sizes (#2377) (7d114d9)
- unhandled error when clipboard read permissions are not granted (#2492) (41b4cd8)
0.39.0 (2023-06-30)
- add low res prediction (#2478) (44ff57e)
- allow to render NMRium without error boundary (#2489) (8bde9b9)
- 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)
0.38.2 (2023-06-22)
- 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)
0.38.1 (2023-06-09)
0.38.0 (2023-06-08)
- include 'view' object with the normal save (#2388) (f69d213)
- rename metaInfo to customInfo and reorder information panel (#2380) (1731ce4)
- 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)
0.37.0 (2023-05-26)
- 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
0.36.0 (2023-05-18)
- display assigned indicator on the top of ranges (#2341) (eefcaa4), closes #2338
- manual zone selection create only one zone/signal (#2354) (d6e6232)
- check symmetry first for manual range picking (#2339) (0886f50)
- manage correctly 19F n 31P jeol data (#2355) (e01ffdf)
- normalize nucleus for jeol n varian (#2356) (a4acc6b)
- reverse varian data to avoid inverted spectrum (#2347) (34c41b5)
- spectrum object should include the sourceSelector (#2360) (8d9161b)
- use a central source of possible patterns for multiplicities (#2352) (fa4dc72)
0.35.0 (2023-05-04)
- add popup title over assign ranges and signals column (#2332) (f0cdd50), closes #2312
- export as JCAMP-DX (#2283) (7a5f520)
- improve assignments (#2288) (d861d18)
- match phase correction to topspin (#2305) (e13047d)
- save database product as .nmrium file (#2273) (1b103e1)
- show a message when the database panel is not available (#2334) (d7a555f)
- actionType should not be empty (#2319) (26c573a), closes #2318
- assignments (#2322) (8a11cda)
- crash with full cytisine and assignment summary (#2331) (c1f29de)
- do not add empty string for name in migration (#2316) (e33bcab)
- erase setting completely when the settings version changed (#2323) (5c1af96)
- onChange callback debounce (#2296) (ec822d8)
- peak, ranges, and zones picking options input refresh (#2317) (6a6ef64)
- ph0 value starts from zero (#2315) (5d08c1a), closes #2314
- react-table layout (#2293) (d40f76b)
- spectra intensity change after step out horizontally (#2281) (b1aa905)
- structures labels uniqueness (#2333) (3c7126d), closes #2303
0.34.0 (2023-03-24)
- 2d fid (#1633) (1a89ffc)
- add description for predefined columns (741646d)
- add importation filters tab to general settings (#1957) (7769d6c), closes #1607
- add Matrix generation options per nucleus in the View state (878910a)
- add signal processing filter (7ea6416)
- add spectra column customization (741646d)
- add the 'source' property for original file (#2126) (c1dbe93)
- auto-complete for spectra objects paths (6af9af5), closes #2045
- change contours levels for all 2d spectra if no spectrum is selected (#2074) (ce89796), closes #2069
- copy and past workspace (c7c012b)
- copy molfile as V3 or V2 (#2201) (9692f5a)
- create a new workspace "assignment" (#1895) (c04d6df)
- custom layout component for svg elements (f019c0a)
- customize spectra legends (a332ead)
- database table scroll position (#1860) (2e480a1)
- delete all filters under a specific spectrum (4198f17)
- display matrix generation panel (#1955) (d1d326e), closes #1953
- display spectra info block (1f1cfd8)
- distinguish FT spectrum which processed by NMRium with an icon (#2157) (efa979f), closes #2149
- field auto complete (7b3590c)
- fileCollection as source in .nmrium files (#2022) (8aad5c6)
- import meta information automatically (54b48da)
- import spectra meta information (77ff6a3), closes #1462
- improve general settings UI (#1966) (82a33e8)
- improve multiple spectra analysis panel (#1964) (93158dd), closes #1921
- improve spectra analysis (#1987) (64c029d), closes #1980
- integrate with fifo-logger (#2231) (0282462)
- load .nmrium file without spectra (#2123) (#2125) (aff9a4e)
- load .nmrium file without spectra and have �iew or, and setting… (#2123) (106ad9b)
- matrix generation (53b9832)
- message component (success, error, warning, and info) (653f459)
- nmr-load-save prerelease with filters (#1965) (f0a9471)
- order multiple spectra analysis table (#1887) (9f90f13)
- process FID spectra automatically to FT (#2141) (d3b87ad)
- re-coloring spectra based on the distinct value (1cdedf9), closes #1882
- react table columns virtual scroll (2282a75)
- recolor spectra (b57ed9d), closes #2081
- redetect signal when resizing the range (#2007) (90d8487)
- resize floating molecule (52d16e6), closes #1929
- save vertical splitter position in workspace (#2203) (b35418f)
- select multiple active spectra (#2104) (0c214a8)
- set custom workspaces at the level of the NMRium component (#1956) (f3b3c65)
- show a message when drag/drop files raise an error (#1962) (9b3c956)
- show molecule atoms number (#1918) (3468b96), closes #1916
- signal processing filter (4a1bccf)
- sort spectra (fde2fbc), closes #2018
- use 2D data quadrants and reload assignment from JCAMP-DX (#1861) (435e961)
- add one level in filters (#2120) (24b6f36)
- alert messages are outside the visible page (#1890) (221cf24), closes #1875
- avoid timeout during assignment (d813541)
- avoid unmounts in spectra panel (#2197) (fc2f07a), closes #1901
- baseline correction live preview (#1969) (c7c012b)
- coupling constant format in database table (#1877) (d72a1a1), closes #1853
- coupling constants format (#1856) (4e899e6)
- digits format (#2137) (fc38f51)
- dropdown list position (#2010) (9545851), closes #2008
- edit range (#1975) (27141bc)
- empty test cases not working (#2180) (45cb60d), closes #2172
- exclusion zones (#1897) (4766608)
- export as raw data should not include the 'source' object (#2241) (c5eba03)
- extend preference dataSelection to jcamp format (#2185) (b88f7fd)
- handle correctly only bruker SER (#2067) (ad33c74)
- hide/show spectra (#1961) (189dc94), closes #1960
- import spectrum data with nmr-load-save (#1862) (520ce89)
- importation ranges relative value from publication string (#2228) (893e3e5)
- jeol files with data not power of 2 (af13a62)
- jpath (91d9f7f), closes #2080
- multiple spectra analysis columns preferences (#1878) (7d45a4a), closes #1874
- onload processing (#2254) (ede4887), closes #2250
- parse hex color and extract opacity (#2233) (991748a)
- prediction and improve speediness (#1971) (1f9aa4d)
- rangesToACS don't guess multiplicity (#2028) (494fcc3)
- re-edition of zero filling (925cea7), closes #2150
- react table virtual scroll (#1879) (8b6def9), closes #1863
- set
defaultworkspace if the specified workspace does not exists in the workspaces object (#1989) (733e3a8), closes #1979 - set the zoom tool active when deselecting another tool (ef718c7), closes #2066
- sorting by solvent (#2037) (23f7660), closes #2017
- spectra table columns width (#2210) (40a9f5b)
- speed of database load with precalculated indexes (3c76502)
- support .jcamp extensions (d78acd4)
- swapped family and given name in citation.cff (#2047) (9fae0ad)
- the 2d tab should be active by default if we have 2d and 1d spectra (741646d)
- use svg transform instead of css transform (#2204) (1631aac)
- vertical axis for the slicing tool (#1846) (06e2787)
- wait for the container height value before calculating the virtual scroll boundary (#2027) (424328f)
0.33.0 (2022-10-27)
- show a message when the 2d has too many lines (55617e2)
- support for inline jcamp from nmr-load-save (#1816) (c9fcbf4)
- absolute integration column format (#1828) (f87886b), closes #1827
- add
jcampto data source types (bc1bd11) - chemical shift in 'ranges' has no impact (e55c35f), closes #1808
- remove DC offset if AQ_mod is qsim (#1804) (135a072)
0.32.0 (2022-10-13)
- add ellipsis to molecule label when exceeding the defined size (62b268a), closes #1784
- display the index of the x array of the spectrum in the 1D footer (8f32820), closes #1795
- improve zoom tool (#1794) (9fe278f), closes #1783
- limit the Molecule label length to a maximum of 10 characters (9a49474), closes #1691
- sync 2d chart spectrum colors (#1807) (10c7b1a)
- contours: use xSanplot instead of absMedian (#1790) (e8b16c7)
- copy to clipboard in Safari (a6b54c9)
- count callback tests (#1802) (2d69b50)
- phase correction crash after absolute (e185b71), closes #1766
- shift spectrum not working when change the value directly from peaks table (acd1ab3)
- stop page scrolling when zooming in spectra by mouse wheel (46e0b16), closes #1799
- switch between Real and imaginary spectra (bfbae61), closes #1780
0.31.0 (2022-09-23)
- allow apodization, zf, ft in exercises (4ee24ba)
- implement onViewChange callback (#1743) (865cfe6)
- remember position of floating molecule (#1730) (179e4a0)
- use nmr-load-save to allow among other to drag / drop directly a bruker folder (#1753) (11a6fa3)
- dialog box position (#1757) (ce1ab49)
- peak shape drawing (#1767) (90a75a7), closes #1746
- peaks, signals, ranges, zones with id (#1732) (bdb4daa)
- refactor range tools state to fix state-related bugs (#1731) (ebac30a)
- support changing onViewChange callback (ff529ed)
0.30.0 (2022-08-26)
- React v18 is now mandatory
- activate resizing for integrals/ranges when its tool selected (4c75f34), closes #1648
- apodization window preview (#1647) (16b97b3)
- change the spectra alignment from stack to center when pressing on 'c' shortcut (7be801f), closes #1652
- disable baseline correction live preview (b1e7845)
- enable/disable resize in the resizer component (6797c43)
- improve 1d filters (#1623) (4651216)
- improve multiple spectra range deletion (e6007e3), closes #1661
- improve peak picking (ecc091c), closes #1651
- improve remove exclusion zone/s (d24dfb1), closes #1667
- improvement of prediction panel (fa9d49c), closes #1664
- move selected spectrum to front (784a793)
- open spectra panel after prediction (a939255), closes #1663
- peaks annotations should not be displayed if the spectrum not active (e10f0bd), closes #1662
- React v18 is now mandatory (2793d90)
- zero-filling filter live preview (5979a85), closes #1646
- absolute median as noise level for 2D (#1660) (735eb90)
- correct and refactor floating molecules (#1715) (9000808)
- database search (c9af976), closes #1678
- import molecules id on loading json data (#1725) (5c43d1f)
- improve 2D first display performance (78be996)
- prediction2D: right place for experiment (#1675) (e331998)
- prediction: empty multiplicity for singulets (b2d6b2d)
- resizing multiple spectra range (e6007e3)
- round data to dataPoints reported (#1685) (f271ade)
- show change sum modal when structure panel is visible (f58ad99), closes #1687
0.29.0 (2022-07-25)
- activate/deactivate baseline correction live preview (e835290)
- improve general settings (#1611) (92d1c93)
0.28.0 (2022-07-15)
- add hyperlink to database record in preferences if google docs (abfaa6a), closes #1499
- add ranges when adding jcamp from the database (8a4bd63), closes #1571
- automatically close the right side of the split (d94cc68), closes #1570
- automatically load the default database when open its panel (#1612) (d61c0aa), closes #1608
- database advanced search by molecule structure (#1602) (fed6872)
- database can have
oclproperty that will be used index if available (9afad9b) - disable drag and drop (503f1c0), closes #1582
- expanded hydrogens in the floating molecule (7dd5e9c), closes #1572
- force component preferences over local storage preferences (0c9b63d)
- force SplitPanel re-render when hidePanelOnLoad value change (9f01e7f)
- format the decimal fields in database panel (4700745), closes #1592
- generate spectra viewer as blob from outside component (#1589) (d64597c)
- improve loading database (#1615) (288e4b0), closes #1614
- live preview for baseline correction (#1621) (1993aa3)
- reapply the line broadening filter should take the last value and not the sum (c083073), closes #1618
- return .nmrium format when trigger onDataChange (bf97af0), closes #1584
- set default alignment 'stack' when loading many spectra (72599ea), closes #1577
- show a message if the import is disabled (581d587), closes #1586
- throttling to display jcamp from database (99c7c34), closes #1575
- use idCode in database lookup (#1609) (f2f631e)
- database numberic column format (5353842)
- database numeric column format (057976e)
- edition of range after automatic assignment crash (a4357bf), closes #1597
- Ignoring of wobble curve does not work (#1590) (ec2607d), closes #1581
- molecule panel resizing (d06c992), closes #1574
- pressing 's' when having one spectrum affects the other vertical alignment options (6b2792c)
- side panel not initially closed when hidePanelOnLoad is true (9ddcbe7)
- update local storage when NMRium preference changed (43dd395)
- wheel zoom (5017036)
- when tool button is not available shortcut should not be available neither (4c08578), closes #1504
- wrong "search by structure" button status (8c84764), closes #1603
0.27.0 (2022-06-03)
- add automatic assignment panel to general preferences (31e14d1), closes #1461
- allow edition of equivalence for hetero atoms (#1550) (b0453fb)
- customize the initial width of the side panel (9a2be39), closes #1558
- databases management (#1505) (e283960)
- default displayed name when import jcamp (b451ab9), closes #1493
- edit molecule by double-click on the floating molecule structure (c071f5a), closes #1529
- embedded workspace (cc3ad59)
- float molecule structures over the spectrum (#1525) (843173d)
- improve panels and general preferences (#1547) (88eee3c)
- keep Molecule structure floating over the spectrum when editing it (64fd971), closes #1528
- label the molecule (907d09a), closes #1342
- preview spectrum from database (#1561) (24174cc)
- show/hide kind column in ranges panels (6c3899b), closes #1562
- specify whether the split pane is initially closed or not (ecc7b86), closes #1494
- 1d data not converted to typed array (7472a77), closes #1555
- coupling tree not working (4c660c1), closes #1544
- manual 1D ranges detection crash after processing spectrum FID to FTT (dd470ce), closes #1465
- Peak width is given in Hz and correctly formatted (43d6c3b)
- ranges notations do not exist when exported as SVG or jpeg (109f900), closes #1567
- resurrect spectrum from ranges crash (#1565) (2ebdeb1)
- spectra stack alignment does not work when load .nmrium (33ce29b), closes #1495
- wrong SVG generated in 2D (b1f8ae1), closes #1551
0.26.0 (2022-04-21)
- add .zenodo.json (a904dae)
- auto assignments (#1456) (1024c2e)
- auto-assignment by clicking on the row of the table (132afb1)
- automatically assign the first result of the assignments (d3d8ad1), closes #1477
- highlight clicked row in auto-assignments table (b988f7d), closes #1486
- read jcamp raw data (def0ee8), closes #1481
- replicate spectra Peak picking function in automatic assignment panel (d8e6180), closes #1480
- reset automatic assignments (1441c5c), closes #1488
- assignment tool not assign all diaIDs (3ae5cd3), closes #1478
- data change does not re-initiate the state (1b96235)
- difference of assignment with and without 'explode' protons (fd365f3), closes #1479
- highlight in some assignment (a736e7d), closes #1490
- leaving a zone is not always detected (cd6d86e), closes #1474
- Nuclei formatting in general settings (42a20a1), closes #1471 #1473
- use CITATION.cff (bfd9c69)
0.25.0 (2022-04-07)
- Button component (44fd565)
- pressing "Enter" in NMRium triggers the file selector dialog (012e28b), closes #1460
- update dependencies (#1428) (21ffc50)
0.24.1 (2022-03-31)
- full ethyl benzene sample crash (b8626de)
- reload NMRium with the last selected workspace (cb52cdc), closes #1453
0.24.0 (2022-03-29)
- add name for predicted spectra (e032417), closes #1452
- distinguish predicted spectra color per sample (f2b5acb)
- NMRium workspaces (#1431) (cd0ccbd)
- quick workspace change (a1808a7), closes #1446
- bug when drag / drop second NMRium file (fe64cb1), closes #1421
- change integral sum option by selecting a molecule is hidden (64c4887)
- crash when unselect 2d spectrum (790b27c), closes #1434
- generateSpectrum2D n getFrequency function (#1450) (ce8eb1b)
- Reset workspace crash (c2481d1), closes #1448
- sorting columns in ranges table (67e850a)
- y scale was not refreshed after applying FFT Filter (011ef72), closes #1430
0.23.0 (2022-03-11)
- create prediction panel (3c96406)
- Bug when drag / drop second NMRium file (08ada51), closes #1421
- change enum to be a simple string (#1422) (38066dc)
0.22.0 (2022-03-10)
- exclusion zone still visible when disabled its filter (6b4d4cd), closes #1414
- integral or Multiple Spectra Analysis panels do not open when selecting its tool (a170519), closes #1407
- nmrium crash when some keys not exists (450decd), closes #1404
- onDataChange triggered when mouse enter/leave the displayer (0b271e9)
- vertical scroll on Firefox (df4ad3b), closes #1418
- vertical zoom for spectra and integrals (#1416) (c2df1ec)
0.21.0 (2022-03-03)
- clear zoom history when pressing the "f" key (fc1e457), closes #1399
- hide multiple spectra auto range picking when ranges picking tool not active (1690c82), closes #1396
- hide zones picking and slicing tool in exercise workspace (c1f2c5d)
- save NMRium preferences by workspace (#1393) (83ddbc5)
- show only spectra and integral panels in exercise workspace (43b6c65), closes #1395
- manual option of changing an integral sum not selected in the exercise mode (70640e9), closes #1397
- Processed file can not be loaded on dev.nmrium.org (0a51dd5), closes #1316
- select tool by pressing its shortcut when no spectrum is selected (61bd971), closes #1373
- zoom history in 2D (c2c989a), closes #1371
0.20.2 (2022-02-28)
0.20.1 (2022-02-24)
- workaround duplicate cheminfo-types (a2eb9d2)
0.20.0 (2022-02-23)
- add colored text to the ZonesTable (F1 - F2) (fbcad47)
- add exclusion zones filter (#1376) (5d0cdf4)
- open Zone panel while you click on the sidebar tool (#1369) (c0fb1c0)
- autoRanges detection for HR spectra (bc9f475)
- change san plot text to be displayed in line (#1350) (efe0f0a)
- create an empty molecule throws an error (a99d95c)
- make the "Structures" responsive (#1361) (59df13f)
- prevent crash if range picking without finding peaks (e472eaa)
- prevent crash in auto-range picking (2b52066)
- prevent crash with multiplet analysis (#1356) (ca8fb76)
- remove useless calculation in BrushTracker and replace it by a real test (50c4d3b)
- resolve crash on recall zoom level (#1349) (cc13abc)
- resolve error on zoom (6285e22)
- resolve missing key error (#1355) (3436331)
- resolve shifting issue with chart 2D (#1364) (4b219b5)
- we remove the condition that an atom may only be assigned once (035887c)
- wrap main nmrium component in error boundary (f5d8de1)
0.19.1 (2022-01-24)
0.19.0 (2022-01-24)
- complete database panel with filters (1641d90), closes #1254 #1255 #1256 #1257
- Display integrals for the ranges (2644fae), closes #1225
- Display spectra for each range when mouse enter over database record (6b457f8)
- generate spectrum from publication string (2b5d66a)
- improvements correlation table, i.e. allow movement of links (#1268) (2410e65)
- Integral scaling (1f16152)
- J Graph (#1311) (cebc3c0)
- resurrect spectrum from database set (cf6c8b0), closes #1259
- resurrect spectrum from database spectrum (010129f), closes #1259
- use nmr processing types (#1310) (fc576ef)
- avoid enhanceSymmetry for manual zone detection (e5be7ca)
- basic panel style import (b46bdd4)
- Center and stacked function/icon for FID files (0e22f8c)
- crashes due to missing plural name of peak in nmr-correlation (#1237) (907ade3)
- increase default frequency cluster close #1309 (e326ca4)
- nmredata importation (#1292) (8e252a3)
- refactor nH parameter to integrationSum close #1318 (#1319) (1138d1d)
- save preferences (7c13cc9)
- summary header styles (#1296) (ee1d0b9)
- summation field annotation when assigned (5752608)
- table style when panel filp (71702b9)
- table style when panel flip (51cd874)
- Toolbar menu y transform when menu greater than screen height (cf704d3)
- update minor deps and remove react-card-flip (#1321) (54b7608)
- update nmr-processing to 3.3.1 (eacea85)
0.18.3 (2021-09-05)
- calculate the chart for NMR multiplet analysis (b8279eb)
0.18.2 (2021-09-02)
- add playwright* in tsconfig exclude (f4eebc0)
0.18.1 (2021-09-02)
- diaID to diaIDs in spectrum2D (dd737c5)
- ensure plural js in multiplet-analysis (eeb68f0)
- jeol: update nmr-parser to 1.6.2 (b741c65)
- Peak annotations are not displayed correctly in Safari (9233c9d), closes #1219
- update nmredata to 0.5.0 (8c9b530)
- wrong behavior in integration of the assigned signal (#1224) (b720846)
0.18.0 (2021-08-27)
- 1d and 2d prediction (#1194) (f5cb228)
- add prop to hide panel on initial load (#1171) (b0cdd08)
- Automatic ranges / zones picking in all spectra (31302a2), closes #1212
- integrate with new carbon prediction service (943432e)
- predict carbon from molfile (8706b0e)
- displayer crash when cursor come over 1d trace in 2d mode (e8080a9)
- gray lines indicators do not appear on prediction (5e33fc7), closes #1211
- Range edition not working anymore (2469601)
0.17.1 (2021-07-14)
- set a default value for the data prop (7daf6f4)
0.17.0 (2021-07-14)
- #879, #898, #961 and #1089 (#1149) (66dced0)
- avoid re-renders due to the AlertProvider (67f4edf)
- baseline correction crash when "degree" not between 1 - 6 (defa111)
- correct style of molecule editor modal and ranges header outside of Vite (7fa7775)
- do not use nullish coalescing operator (1503727)
- fill value in signal input field when select range not working (aa837fe)
- prevent re-renders due to chart data provider (e72c8c7)
- prevent re-renders due to dropzone loader (68c5879)
- prevent re-renders due to modal provider (882d160)
- simplify help provider to avoid re-renders (54cb76c)
- update nmr-parser to 1.6.0 close#1145 (#1156) (532f2d5)
- use Delete instead of Escape as Backspace alias (cd04968)
0.16.0 (2021-06-21)
- The docsBaseUrl prop was removed. Documentation will always be at https://docs.nmrium.org
- convert value to string crash when have null value (c632ee9), closes #1144
- Drag and drop jcamp -> export -> import not working (870d82a), closes #1143
- Help broken (fbaec53), closes #1132
- integral in fixed mode for integrals and ranges (eaf7d4a), closes #1131
- Prop validation error when closing the right panels area (ad1028e), closes #1141
- Ranges are displayed incorrectly in case of spectrum shifts (985b583)
- remove docsBaseUrl and refactor constants (c8a35af)
0.15.0 (2021-06-17)
- allows to continue to control phase when mouse leave the button (613e5da)
- improve error message (68eda7c)
- update nmr-parser to 1.4.0 (11d13b7)
- change props to be non-required (40dd75c)
- close #1112 (#1114) (5990eed)
- edit range manually crash (254d10f), closes #1124
- formating and filter general bugs (ea19f6d), closes #1135 #1134 #1133
- improve phase correction (c3d889e)
- integral value under integral plot not updating (04a062b), closes #1123
- Phase correction shortcut not working (c56592d), closes #1121
- sanplot when not negative/positive values exist (aa90fa0)
- use useRef (b360911)
0.14.0 (2021-05-20)
- enhance sanplot (#1090) (adf371b)
- improve default values for auto phase. close #1093 (#1099) (a2d67a4)
- allow to save as shortcut on osX (ade53cd)
- always use the zones for polynomial baseline correction. (#1092) (cf7fa99)
- build demo site using relative URLs (8e4f668)
- change integral sum modal style (e5cf78e), closes #1062
- crash when add spectra filter (1a6ab62), closes #1083
- In "Export As" data included even when "include data" unchecked (5aa068a)
- projection: fix wrong number of points. close #1041 (#1095) (44139a0)
0.13.0 (2021-05-13)
- add getAtomsFromMF (e29bcbf)
- update dependencies nmr-parser and ml-spectra-processing (#1042) (d443fd7)
- better display for version and link to github (4a2d70f)
- crash when edit and save range. (907b49f), closes #1031
- do not import lodash directly (ca47250)
0.12.0 (2021-05-07)
- " Export As " feature (60e6430)
- 1d histogram (e4178f1)
- 2d histogram (50f83da)
- add equally spaced filter. (5d9953c)
- add new filters (cdb9e98)
- Add new tool to draw exclusion zones (1d48ebd)
- add the base for Multiple spectra filter. (39cf861)
- Advanced save in .nmrium data (e59700b)
- auto peak picking based on window zoom (b7592b3)
- auto ranges detection based on window zoom (792ea3f)
- auto zone detection within zoom region (#975) (f0452d4)
- avoid from > to in manual zone selection (#978) (326ed14)
- change default color order (7b95026)
- enable nmrium to load zip files with bruker folder and others (#1024) (0aa42b1)
- fix wrong step size calculation-getSubMatrix (e1e6ef0), closes #616 #642 #785 #620
- importation and exportation of nmredata (#989) (7ae8c8c)
- nmredata: refactor of importation/exportation (#1007) (3f539e0)
- use refactored nmr-correlation package (#1025) (990eb54)
- " delete all " not delete all spectra. (54907de), closes #1028
- 1D and 2D histograms (8211ff2)
- avoid out-of-range indexes in zone detection (984f297)
- correctly build for CDN (86dcce3)
- crash when select a filter. (df6e2ba)
- default color for noesy / roesy (ccd7f9a)
- fromTo Filter (aa8ccbc)
- improve chart (1695bda)
- modal come over the table header, context menu not clickable. (aac0944)
- Peak picking add repeatitive CSS in the DOM. (40a5398), closes #1009
- Peaks not align vertically in stack mode (8d2bf59), closes #1026
- peaks pointer vertical alignment in stack mode (ac4fa8e)
- prevent duplication in auto peaks detection. (7bead8d)
- prevent duplication in auto ranges detection. (2ca4a3a)
- prevent duplication in auto zones detection. (1b13e26), closes #976
- processed 13C example to deal with new peak format (9dff439)
- processed13C example and peak picking (bad982f)
- Select component onChange event not firing on firefox (f05e6d2), closes #991
- update dependencies (bd4e4e5)
- update nmr-parser / jcamp converter (bd6d870)
- use react-shadow to avoid being affected by external style (fd7b803)
0.11.0 (2021-04-12)
- add prop to define the message on NMRium (#967) (22db9ce), closes #951
- export and import NMRIUM file as ZIP. (7bf6f44)
- export to nmredata (#969) (c06e5ac)
- fix prefix of the path to jcamp file in nmredata exportation (64b329a)
- Keep table header fixed. (cae5d0c)
- metadata: export molfile without implicit hydrogens (5b6f3cd)
- Modals should not open outside of the component (e599f8d)