fix: reorder sub matrices from bruker data n fix varian loading (#2847)

* fix: experiment array from varian data * chore: new pre-release of nmr-load-save * fix: not generate spectrum from wrong resurrection * chore: preRelease avoid wrong ACS strings * Revert "fix: not generate spectrum from wrong resurrection" This reverts commit 49be872. * chore: new release nmr-load-save n nmr-processing * refactor: workspace object --------- Co-authored-by: hamed musallam <hamed.musallam@gmail.com>
cheminfo · Feb 2, 2024 · ef7e1b3 · ef7e1b3
1 parent df297d4
commit ef7e1b3
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Showing 6 changed files with 18 additions and 32 deletions.
diff --git a/package-lock.json b/package-lock.json
diff --git a/package.json b/package.json
@@ -87,7 +87,7 @@
     "ml-stat": "^1.3.3",
     "multiplet-analysis": "^2.1.2",
     "nmr-correlation": "^2.3.3",
-    "nmr-load-save": "^0.24.0",
+    "nmr-load-save": "^0.25.0",
     "nmr-processing": "^11.8.1",
     "nmredata": "^0.9.9",
     "numeral": "^2.0.6",

diff --git a/src/component/workspaces/exercise.ts b/src/component/workspaces/exercise.ts
@@ -35,6 +35,7 @@ export const exercise: InnerWorkspace = {
     verticalSplitterCloseThreshold: 600,
     spectraRendering: 'auto',
     loggingLevel: 'info',
+    popupLoggingLevel: 'error',
     invert: false,
   },
   formatting: {

diff --git a/src/component/workspaces/prediction.ts b/src/component/workspaces/prediction.ts
@@ -9,6 +9,7 @@ export const prediction: InnerWorkspace = {
     verticalSplitterCloseThreshold: 600,
     spectraRendering: 'auto',
     loggingLevel: 'info',
+    popupLoggingLevel: 'error',
     invert: false,
   },
   display: {
@@ -61,9 +62,7 @@ export const prediction: InnerWorkspace = {
                 visible: true,
               },
               {
-                name: 'name',
                 label: 'Spectrum Name',
-                description: 'Spectrum Name',
                 jpath: ['info', 'name'],
                 visible: true,
               },
@@ -74,9 +73,7 @@ export const prediction: InnerWorkspace = {
                 visible: true,
               },
               {
-                name: 'solvent',
                 label: 'Solvent',
-                description: 'Solvent',
                 jpath: ['info', 'solvent'],
                 visible: false,
               },
@@ -107,9 +104,7 @@ export const prediction: InnerWorkspace = {
                 visible: true,
               },
               {
-                name: 'name',
                 label: 'Spectrum Name',
-                description: 'Spectrum Name',
                 jpath: ['info', 'name'],
                 visible: true,
               },
@@ -120,9 +115,7 @@ export const prediction: InnerWorkspace = {
                 visible: true,
               },
               {
-                name: 'solvent',
                 label: 'Solvent',
-                description: 'Solvent',
                 jpath: ['info', 'solvent'],
                 visible: false,
               },
@@ -153,9 +146,7 @@ export const prediction: InnerWorkspace = {
                 visible: true,
               },
               {
-                name: 'name',
                 label: 'Spectrum Name',
-                description: 'Spectrum Name',
                 jpath: ['info', 'name'],
                 visible: true,
               },
@@ -166,9 +157,7 @@ export const prediction: InnerWorkspace = {
                 visible: true,
               },
               {
-                name: 'solvent',
                 label: 'Solvent',
-                description: 'Solvent',
                 jpath: ['info', 'solvent'],
                 visible: false,
               },
@@ -199,9 +188,7 @@ export const prediction: InnerWorkspace = {
                 visible: true,
               },
               {
-                name: 'name',
                 label: 'Spectrum Name',
-                description: 'Spectrum Name',
                 jpath: ['info', 'name'],
                 visible: true,
               },
@@ -212,9 +199,7 @@ export const prediction: InnerWorkspace = {
                 visible: true,
               },
               {
-                name: 'solvent',
                 label: 'Solvent',
-                description: 'Solvent',
                 jpath: ['info', 'solvent'],
                 visible: false,
               },

diff --git a/src/component/workspaces/simulation.ts b/src/component/workspaces/simulation.ts
@@ -9,6 +9,7 @@ export const simulation: InnerWorkspace = {
     verticalSplitterCloseThreshold: 600,
     spectraRendering: 'auto',
     loggingLevel: 'info',
+    popupLoggingLevel: 'error',
     invert: false,
   },
   display: {
@@ -44,9 +45,7 @@ export const simulation: InnerWorkspace = {
                 visible: true,
               },
               {
-                name: 'name',
                 label: 'Spectrum Name',
-                description: 'Spectrum Name',
                 jpath: ['info', 'name'],
                 visible: true,
               },

diff --git a/src/component/workspaces/workspaceDefaultProperties.ts b/src/component/workspaces/workspaceDefaultProperties.ts
@@ -61,6 +61,7 @@ export const workspaceDefaultProperties: Required<WorkspacePreferences> = {
     verticalSplitterCloseThreshold: 600,
     spectraRendering: 'auto',
     loggingLevel: 'info',
+    popupLoggingLevel: 'error',
     invert: false,
   },
   formatting: {