Releases: cheminfo/nmrium
Releases · cheminfo/nmrium
v0.36.0
0.36.0 (2023-05-18)
Features
- display assigned indicator on the top of ranges (#2341) (eefcaa4), closes #2338
- manual zone selection create only one zone/signal (#2354) (d6e6232)
Bug Fixes
- 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)
v0.35.0
0.35.0 (2023-05-04)
Features
- 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)
Bug Fixes
- 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
v0.34.0
0.34.0 (2023-03-24)
Features
- 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)
Bug Fixes
- 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](https://git...
v0.33.0
v0.32.0
0.32.0 (2022-10-13)
Features
- 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)
Bug Fixes
- 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
v0.31.0
v0.30.0
0.30.0 (2022-08-26)
⚠ BREAKING CHANGES
- React v18 is now mandatory
Features
- 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
Bug Fixes
- 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
v0.29.0
v0.28.0
0.28.0 (2022-07-15)
Features
- 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)
Bug Fixes
- 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
v0.27.0
0.27.0 (2022-06-03)
Features
- 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
Bug Fixes
- 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