Releases v0.63.0
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0.63.0 (2025-05-29)⚠ BREAKING CHANGES
It was exported by nmr-load-save, @zakodium/nmrium-core do not export this method. It is callable from instantiated core only.
rename NMRiumRef type to NMRiumRefAPI
release-as
Features
2d apodization (450d0e6 )
2d zero filling (#3306 ) (613eb18 )
add basic reorder feature to sections component (1da85c1 )
add draggable functionality for BlueprintJS dialog (960e844 )
add external ref API to load files (#3147 ) (3620af4 )
add new Filter section in case the filter does not exists (c0dfee0 )
add support for inverted scroll behavior (f2ef939 )
adjust inset position and size using percentages instead of pixels (57b9bde )
assign 1d from 2d (6409e59 )
assign 1D labels from 2D spectra (45f931a )
assignments guidelines over the first and second dimensions (f0821a3 )
automatic two dimensions phase correction (#3022 ) (690971f )
avoid splitting molecule fragments into separate molecules (#3174 ) (c05db64 )
bidirectional 1D zoom (#3472 ) (339c67d )
change floating molecule position from pixels to percentage (a778abc )
clear all added spectra from the database (#3240 ) (1ae01cd ), closes #3235
collapse molecule all hydrogens (f825f1e )
control structure size (default minHeight: 100px) (e56ef9a )
control structure size (default minHeight: 100px) (d434888 )
control the margin top of the peaks label (e177d56 ), closes #3112
create alert component (6de9be1 )
create and edit assignment labels for ranges (#2971 ) (31297a2 )
create resizable svg element (#3333 ) (7216b6f )
customize assignment highlight color (#3230 ) (b6ae57c )
customize tools indicator line color (#3411 ) (fc98768 )
display 'No filters' when no filters (cd28f64 )
display matrix boxplot (83ff531 )
display prediction errors (cc3a473 )
display tracking for selected spectra (d29fad9 ), closes #3231
edit meta info (965f316 )
enhance svg table styling and auto row spanning (c033501 )
exercise workspace has invert by default (#3047 ) (ab72c58 )
expand molecule all hydrogens (8bbba04 )
export as JCAMP-DX includes all metadata (#3162 ) (6caf0a7 )
export for CT (23b2f1d )
export JCAMP-DX from the main export menu (cbc5a4c )
export ranges as TSV file (cea8135 )
export spectra insets (57b9bde )
fill chemical shift input by using the cursor on the spectrum (#3334 ) (02ee2f8 )
floating publication string over spectrum (a22a55a )
floating ranges over the spectrum (69decfb )
generate and display stocsy (83ff531 )
generate and display stocsy and boxplot (#3055 ) (83ff531 )
hide 2D phase correction for non-quadrant spectra (b6d7c46 )
hide External APIs tab behind experimental feature flag (7dae46b )
hiding integration value should lower the spectrum (2ce8ef9 )
hook to manager syn filter options (84e9dc7 )
horizontal and vertical zoom with CTRL + drag (#3469 ) (f0e99b2 )
implement dialog manager (61a7192 )
implement external APIs management in general settings (7dae46b )
implement right-side panels bar (#3318 ) (a4be76f )
implement settings migration (cabfa87 )
improve 1D apodization (#3260 ) (797fea4 )
improve 1D phase correction options panel (18f5574 )
improve 2D phase correction filter options panel (bcf945e )
improve 2d zoom with horizontal, vertical, and bidirectional (2734993 )
improve apodization filter options (860473c )
improve baseline correction filter options panel (7db0a08 )
improve brushing (5912783 )
improve database (#3102 ) (d33a9f0 )
improve database panel (#3455 ) (#3461 ) (e56ef9a )
improve draggable dialog (0af665b )
improve editing of exclusion zones filter options (fc2bc59 )
improve editing of Shift filter options (c850388 )
improve export publication string options (9f2e971 )
improve filter selection and editing behavior (#3265 ) (5fa9fd1 )
improve image export scaling for PNG and SVG (967e289 )
improve info block (b838b34 )
improve inset (57b9bde )
improve main toolbar tooltip (#3008 ) (dc5703c )
improve manual range picking and fix simulation of diagonal peaks in COSY prediction (#3308 ) (24dbc50 )
improve matrix (83ff531 )
improve multiple spectra analysis data export (9bcf680 ), closes #3233
improve path builder (d0ca68d )
improve processing user interaction (#3327 ) (513280f )
improve range assignment label addition and editing functionality (021656c )
improve recolor by distinct value (#3082 ) (5c52a37 )
improve save as PNG, SVG and copy to clipboard (#3252 ) (683eb63 )
improve selection of spectra (#3159 ) (2df4b33 )
improve spectra recoloring (#2997 ) (c446198 )
improve zone assignment label addition and editing functionality (#3034 ) (d626f5e )
inset (57b9bde )
inset actions (57b9bde )
inset brush end (57b9bde )
inset pain (57b9bde )
inset zoom out and zoom history (57b9bde )
interactive positioning of peak labels (e177d56 )
make module compatible with native ESM (#3271 ) (a3db8cf )
map shortcut with Shift key based on invert flag (#3049 ) (65e7cb1 )
minimum width for overlay highlight range (d4872e7 )
move the title block (b838b34 )
past molfile/SMILES in prediction panel (4bf7af7 )
PNG export resolution (#3237 ) (4cbf6c4 )
prepare NMRium structure for printing (1287bc1 )
print spectra (#2786 ) (1287bc1 )
processed apodization (#3447 ) (3fbbfdc )
reopen the collapsed panels area when toggling the panel from the panels bar (3cf40ff )
reorder filters (284c1dc )
resurrect spectrum from signals (c32b594 )
scale integrals in inset (57b9bde )
section component (3f23dcd )
set zoom in/out as the default behavior with Shift + scroll (#2975 ) (b5d28f6 )
sort spectra by specific parameter (1ccb784 ), closes #3232
sort spectra without mutating the original state (47fca1e )
stack range assignment labels to avoid overlap (b7fe786 )
suggest default assignment label for 2D assignment based on closest signal to center (fce426a )
svg table component (c033501 )
toggle ranges, peaks, and integrals view properties inside insets (57b9bde )
UI: improve Sections component (6302db2 )update dependencies (#3359 ) (64b58b6 )
update nmr-load-save to version 0.32.0 (cabfa87 )
update OpenChemLib to v9 (#3471 ) (1e7d403 )
vertical and horizontal zoom (57b9bde )
zone assignment label (#3018 ) (5c3c2a5 )
zoom out based on defined axis domain preferences (d0bab9b ), closes #3024
Bug Fixes
0 value should be taken in account in the axis domain (d0bab9b )
2d phase correction and spectrum rollback (502b621 )
add more gyromagnetic ratio constants (#3006 ) (cf9cb10 )
allow big couplings when a range is added manually (#3157 ) (e6fb70a )
append couplings when edit range (#3442 ) (e7652ff )
apply apodization on the fly when opening its options panel (506bc4b )
apply baseline correction on the fly when opening its options panel (1b8ebdc )
apply inline style on assignment guide lines when export as svg (a3968c2 )
apply zero filling on the fly when opening its options panel (d43911d )
assign indicator margin (fc98768 )
automatic phase correction if phase correction values is undefined (#3204 ) (3ce2b4f )
avoid nesting a button within another button inside accordion item (#3167 ) (903ca53 )
avoid React duplicated key (19e663d )
avoid reselecting the tool if it's already selected (19f5857 )
be more resilient with invalid types (25aad7f )
Bruker 2D SER: fix imaginary data (#2977 ) (0a6c21d )calculate of decimal digits in getDecimalsCount function (53568de )
check if a spectrum is selected before fetching assigned IDs (242682d )
convert range analysis from Pixel to PPM (de4109b ), closes #3378
correct search range (fce426a )
correctly handle optional mapValue function (106f2c9 )
create a simple signal if data length is smaller than 7 points (#3020 ) (c0b406d )
crosshair label position (#3001 ) (9381c21 )
delete all filters should be enabled (6a12a9d )
delete filter (7f6b32d )
delete ranges,peaks, and integrals in insets (57b9bde )
disabled range pop actions menu if it is inset (57b9bde )
disabled toolbar popover item (9c59558 )
display error message when pasting MOL or SMILES fails (0ada098 )
do not allow deletion of digital filter (e41fa05 )
ensure activeSpectrum and tempData are not null (9e50f1c )
ensure apodization panel inputs fields shrink properly (c976d34 )
ensure assignment labels are unique across Cosy F1 and F2 dimensions (45f931a )
ensure data is not empty before looking for a spectrum (0cff982 )
ensure shortcuts are not ignored when the focused element is a radio or checkbox (e8f3667 )
extract atoms correctly using mf-parser (2b5b905 )
find the signal closest to the center of the zone (fce426a )
fix: ensure only the first signal has the assignment label (fce426a )
floating molecule position (162946d )
generate ranges from signals instead to directly use it as range (#3465 ) (74a685e )
hide/show zone assignment label button (a8f9092 )
highlight when toggling hydrogens in molecule could fail (#3245 ) (2276fe0 )
import BoundingBox from nmr-load-save (2837a0b )
import couplings from JCAMP-DX assignment (#3398 ) (6666a33 )
import from publication string with common names of multiplicities (#3154 ) (9ff4ee0 )
improve speed of contour plot (#3050 ) (1b62142 )
info pane appearance (#3005 ) (4fca536 )
inset viewer root (57b9bde )
inset zoom (57b9bde )
jcamp1Dexport: add frequencyOffset and spectralWidth info (#3504 ) (8fccd4e )keep matrix range unchanged when adding exclusion zones (dbf70c7 ), closes #3198
load raw bruker data from nmredata (#3098 ) (addb7bc )
mark form as dirty when toggle apodization algorithms (1b41b02 )
migration to version 8 (0b964fd )
molecule export as SVG (#3371 ) (c0d8191 )
move Accordion component to controlled component (#3520 ) (e3921ee )
multiple spectra analysis sorting option (bde952b )
multiplicity parsing of JCAMP-DX (#3390 ) (ebe92be )
new approach for determining the default contour levels in 2D (#3542 ) (3761276 )
pass start and end in PPM for 'ANALYZE_SPECTRA' action (#3412 ) (207bd1d )
pre-calculated baseline zones using Dietrich algor (#3153 ) (90a3f97 )
predicted spectrum name and frequency (#3081 ) (67ad22c )
prediction panel usability (#3511 ) (9c182f6 )
prevent 'isOpen' and 'overflow' from being passed to the DOM (75c9bd8 ), closes #3399
prevent click event if the user dragged the mouse (#3388 ) (0562360 )
prevent deletion in case no correlations links in summary panel (5f2b614 )
prevent spectrum selection during zoom in stack mode (4f4cd45 ), closes #3190
prevent unnecessary re-renders (ccae049 )
prevent vertical 2D scale from triggering data change callback (d1a48f1 )
radio button (258efc7 )
re-initialize FifoLogger instance when opening the modal (73f2750 ), closes #2981
react table warnings (8dedfe5 )
read title file in bruker pdata (#3114 ) (f4a18b5 )
recalculate integral reducer points based on the zoom range (95cd297 ), closes #3027
remove associated objects from the view and keyPreferences upon spectrum deletion (b0d41e9 ), closes #3125
remove group delay points (#3246 ) (960ac94 )
remove useless border and invalid flex config from DropZone wrapper (#3053 ) (a8a5697 )
reprocess spectra when all filters are deleted (af618ec )
rescale the canvas based on the DPI (4cbf6c4 )
reset domain when cancel filter in live preview (32a0e23 )
reset domain when filter is cancelled (bb327c1 )
reset load flags once the export faild (83ff531 )
restore pivot functionality and add test case (571fc64 )
rollback spectrum to the point right before the shift (#3435 ) (48c6576 )
rollback to digital filter (218891b ), closes #3163
save preferences in the local storage (6f0ac78 )
select component style (f1a24e5 )
select stocsy pivot point when the exclusion zones tool selected (c527775 )
set domain spectra scope to all (83ff531 )
set minimum width and height for the database molecule structure (#3069 ) (4ce0d2b )
set query value to an empty string when it is null in the suggest input (75108c6 )
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 )
show/hide the spectra legend fields (20126dd )
sort the selected the range (b164290 )
spectra simulation options validation (988dfec )
spectrum opacity inside inset (57b9bde )
switch between baseline algorithms should affect the spectrum (1549ce0 )
take into account the line width in 1D prediction (ea224b8 )
toggle default open database (#3547 ) (d68495b )
toggle the matrix generation exclusion zones tool (c527775 )
trigger printing after the NMRium viewer is rendered and rescaled to an A4 page (1287bc1 ), closes #3139
update dependencies (#3099 ) (a6319a2 )
update dependencies (#3431 ) (991bab4 )
update domain in 2D (b860f84 )
update OpenChemLib to v9.1.1 (#3492 ) (736babb )
update react-dropzone (de05c71 )
update react-science (#3452 ) (bcf2496 )
update react-science and resolve React warnings (#3369 ) (3ba4ad5 )
useForm types (258efc7 )
useWatch hook to watch matrix generation changes (aa97dda )
useWatch hook to watch prediction form changes (3549c9b ), closes #3485
useWatch hook to watch range editing form change (f62aa1c ), closes #3486
useWatch hook to watch simulation form changes (2292592 )
validate simulation options (1b7b04a )
varian: include procPar into metadata (#3241 ) (39ee706 )vertical slicing on phase correction (#3015 ) (e1c7b7c )
Y axis in 2D jcamp from jeol delta (#2992 ) (6f0f2c5 )
zones preferences (e9a2b0c )
zoom history manager should take into account the base zoom (23f0de5 )
Code Refactoring
replace nmr-load-save deps by nmrium-core and nmrium-core-plugins (#3473 ) (af1503d )
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