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Changelog

0.33.0 (2022-10-27)

Features

  • show a message when the 2d has too many lines (55617e2)
  • support for inline jcamp from nmr-load-save (#1816) (c9fcbf4)

Bug Fixes

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

0.31.0 (2022-09-23)

Features

  • 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)

Bug Fixes

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

0.29.0 (2022-07-25)

Features

  • activate/deactivate baseline correction live preview (e835290)
  • improve general settings (#1611) (92d1c93)

Bug Fixes

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 ocl property 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

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

0.26.0 (2022-04-21)

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)

0.25.0 (2022-04-07)

Features

Bug Fixes

  • pressing "Enter" in NMRium triggers the file selector dialog (012e28b), closes #1460
  • update dependencies (#1428) (21ffc50)

0.24.1 (2022-03-31)

Bug Fixes

  • full ethyl benzene sample crash (b8626de)
  • reload NMRium with the last selected workspace (cb52cdc), closes #1453

0.24.0 (2022-03-29)

Features

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

0.23.0 (2022-03-11)

Features

  • create prediction panel (3c96406)

Bug Fixes

0.22.0 (2022-03-10)

Features

  • add possibility to reset preferences (6334620)
  • create automatic assignment panel UI (2307c82)

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)

0.21.0 (2022-03-03)

Features

  • 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

Bug Fixes

  • 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)

Bug Fixes

0.20.1 (2022-02-24)

Bug Fixes

  • workaround duplicate cheminfo-types (a2eb9d2)

0.20.0 (2022-02-23)

Features

  • 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)

Bug Fixes

  • 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)

Bug Fixes

  • rescale the molecule according to available space (#1339) (72b6642)

0.19.0 (2022-01-24)

Features

Bug Fixes

  • 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)

Bug Fixes

  • calculate the chart for NMR multiplet analysis (b8279eb)

0.18.2 (2021-09-02)

Bug Fixes

  • add playwright* in tsconfig exclude (f4eebc0)

0.18.1 (2021-09-02)

Bug Fixes

  • 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)

Features

  • 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)

Bug Fixes

  • 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)

Bug Fixes

  • set a default value for the data prop (7daf6f4)

0.17.0 (2021-07-14)

Features

  • change signal delta manually (e079084)
  • live update the tree during edition (2886523), closes #1079

Bug Fixes

  • #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)

⚠ BREAKING CHANGES

Bug Fixes

  • 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)

Miscellaneous Chores

  • remove docsBaseUrl and refactor constants (c8a35af)

0.15.0 (2021-06-17)

Features

  • allows to continue to control phase when mouse leave the button (613e5da)
  • improve error message (68eda7c)
  • update nmr-parser to 1.4.0 (11d13b7)

Bug Fixes

0.14.0 (2021-05-20)

Features

Bug Fixes

  • 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)

Features

  • add getAtomsFromMF (e29bcbf)
  • update dependencies nmr-parser and ml-spectra-processing (#1042) (d443fd7)

Bug Fixes

  • 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)

Features

  • " 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)

Bug Fixes

  • " 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)

Features

  • 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)

Bug Fixes

  • Keep table header fixed. (cae5d0c)
  • metadata: export molfile without implicit hydrogens (5b6f3cd)
  • Modals should not open outside of the component (e599f8d)

0.10.0 (2021-04-05)

Features

  • add getSpinner prop for custom loading spinner (20a5137)
  • add links highlight in predicted 1H spectra (c256fcf)
  • increase version to 0.9.0 (9ea9758)

Bug Fixes

  • add padding to NoData element (7505da7)
  • link in readme (3513dab)
  • make display properties optional (f9ca9e1)