Releases: cheminfo/nmrium
Releases · cheminfo/nmrium
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
nmrium v0.26.0
Features
- 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
Bug Fixes
- 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)
nmrium v0.25.0
nmrium v0.24.1
nmrium v0.24.0
Features
- 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 Fixes
- 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
nmrium v0.23.0
nmrium v0.22.0
Features
Bug Fixes
- 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)