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feat: add the 'source' property for original file (#2126)
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* chore: add sample test n update brukerconverter

* chore: sample test with multi-spectra zip

* chore: right frequency format for 2D prediction

* chore: test realTopDetection as true 2d ZP

* chore: refactor sample test with version 4

* chore: update nmr-load-save

* chore: close #2146

* fix: remove useless toJSON functions

from spectrum1D n spectrum2D

* fix: add source to state

* chore: add baseURL to new sample test

* chore: sample test with multi-spectra zip

* chore: right frequency format for 2D prediction

* chore: close #2146

* fix: remove useless toJSON functions

from spectrum1D n spectrum2D

* chore: update nmr-load-save to 0.7.24

* refactor: change 'source' object value to undefined when importing local spectra files

* refactor: enable\disable �.   export s data source option

* chore: dataSelection as general selector, it works only for broker data folder

remove keepFT and keepFID

* test: fix tests

* chore: downgrade playwright to version 1.29.2

* test: wait for spectra

---------

Co-authored-by: hamed-musallam <hamed.musallam@gmail.com>
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jobo322 and hamed-musallam committed Feb 22, 2023
1 parent 45cb60d commit c1dbe93
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Showing 41 changed files with 2,093 additions and 769 deletions.
1,120 changes: 563 additions & 557 deletions package-lock.json

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8 changes: 4 additions & 4 deletions package.json
Expand Up @@ -64,7 +64,7 @@
"d3": "^7.8.2",
"eventemitter3": "^5.0.0",
"file-saver": "^2.0.5",
"filelist-utils": "^1.7.0",
"filelist-utils": "^1.7.1",
"formik": "^2.2.9",
"immer": "^9.0.19",
"jszip": "^3.10.1",
Expand All @@ -81,8 +81,8 @@
"ml-stat": "^1.3.3",
"multiplet-analysis": "^2.0.0",
"nmr-correlation": "^2.3.3",
"nmr-load-save": "^0.7.22",
"nmr-processing": "^9.3.5",
"nmr-load-save": "^0.7.25",
"nmr-processing": "^9.3.6",
"nmredata": "^0.9.2",
"numeral": "^2.0.6",
"openchemlib": "^8.2.0",
Expand Down Expand Up @@ -111,7 +111,7 @@
"@babel/plugin-transform-modules-commonjs": "^7.20.11",
"@babel/preset-react": "^7.18.6",
"@babel/preset-typescript": "^7.18.6",
"@playwright/test": "^1.30.0",
"@playwright/test": "^1.29.2",
"@simbathesailor/use-what-changed": "^2.0.0",
"@types/d3": "^7.4.0",
"@types/node": "^18.13.0",
Expand Down
104 changes: 38 additions & 66 deletions public/data/aspirin/aspirin_bruker_files.json
@@ -1,5 +1,37 @@
{
"data": {
"source": {
"baseURL": "",
"entries": [
{
"relativePath": "data/aspirin/aspirinFiles/1/acqu"
},
{
"relativePath": "data/aspirin/aspirinFiles/1/acqus"
},
{
"relativePath": "data/aspirin/aspirinFiles/1/audita.txt"
},
{
"relativePath": "data/aspirin/aspirinFiles/1/fid"
},
{
"relativePath": "data/aspirin/aspirinFiles/1/format.temp"
},
{
"relativePath": "data/aspirin/aspirinFiles/1/pulseprogram"
},
{
"relativePath": "data/aspirin/aspirinFiles/1/scon"
},
{
"relativePath": "data/aspirin/aspirinFiles/1/uxnmr.par"
},
{
"relativePath": "data/aspirin/aspirinFiles/1/pdata/1/procs"
}
]
},
"spectra": [
{
"display": {
Expand All @@ -9,73 +41,13 @@
"isRealSpectrumVisible": true,
"isVisibleInDomain": true
},
"source": {
"selector": {
"files": [
{
"name": "acqu",
"relativePath": "data/aspirin/aspirinFiles/1/acqu",
"lastModified": 1152814230000,
"size": 7735
},
{
"name": "acqus",
"relativePath": "data/aspirin/aspirinFiles/1/acqus",
"lastModified": 1152814230000,
"size": 7857
},
{
"name": "audita.txt",
"relativePath": "data/aspirin/aspirinFiles/1/audita.txt",
"lastModified": 1152814230000,
"size": 568
},
{
"name": "fid",
"relativePath": "data/aspirin/aspirinFiles/1/fid",
"lastModified": 1152814230000,
"size": 65536
},
{
"name": "format.temp",
"relativePath": "data/aspirin/aspirinFiles/1/format.temp",
"lastModified": 1152814230000,
"size": 2445
},
{
"name": "pulseprogram",
"relativePath": "data/aspirin/aspirinFiles/1/pulseprogram",
"lastModified": 1152814230000,
"size": 1402
},
{
"name": "scon",
"relativePath": "data/aspirin/aspirinFiles/1/scon",
"lastModified": 1152814230000,
"size": 613
},
{
"name": "uxnmr.par",
"relativePath": "data/aspirin/aspirinFiles/1/uxnmr.par",
"lastModified": 1152814230000,
"size": 5858
},
{
"name": "procs",
"relativePath": "data/aspirin/aspirinFiles/1/pdata/1/procs",
"lastModified": 1580890568000,
"size": 2452
}
],
"filter": {
"bruker": {
"experimentNumbers": "1",
"processingNumbers": ""
},
"general": {
"keepFID": true,
"keepFT": false
}
}
"data/aspirin/aspirinFiles/1/acqu",
"data/aspirin/aspirinFiles/1/acqus",
"data/aspirin/aspirinFiles/1/fid",
"data/aspirin/aspirinFiles/1/pdata/1/procs"
]
}
}
],
Expand Down
20 changes: 13 additions & 7 deletions public/data/aspirin/bruker_aspirin_zip.json
@@ -1,6 +1,14 @@
{
"version": 4,
"data": {
"source": {
"baseURL": "",
"entries": [
{
"relativePath": "data/aspirin/aspirin-1h.zip"
}
]
},
"spectra": [
{
"display": {
Expand All @@ -11,14 +19,12 @@
"isPeaksMarkersVisible": true,
"isVisibleInDomain": true
},
"source": {
"selector": {
"files": [
{
"name": "aspirin-1h.zip",
"size": 524,
"relativePath": "data/aspirin/aspirin-1h.zip",
"lastModified": 182116
}
"data/aspirin/aspirin-1h.zip/1/acqu",
"data/aspirin/aspirin-1h.zip/1/acqus",
"data/aspirin/aspirin-1h.zip/1/fid",
"data/aspirin/aspirin-1h.zip/1/pdata/1/procs"
]
}
}
Expand Down
115 changes: 115 additions & 0 deletions public/data/brukerFolders/brukerFolderWithoutExpno.json
@@ -0,0 +1,115 @@
{
"data": {
"source": {
"baseURL": "",
"entries": [
{
"name": "acqus",
"size": 9607,
"relativePath": "data/brukerFolders/brukerWithoutExpno/acqus",
"lastModified": 1675953739714
},
{
"name": "fid",
"size": 262144,
"relativePath": "data/brukerFolders/brukerWithoutExpno/fid",
"lastModified": 1675953739716
},
{
"name": "1i",
"size": 131072,
"relativePath": "data/brukerFolders/brukerWithoutExpno/pdata/1/1i",
"lastModified": 1675953739718
},
{
"name": "1r",
"size": 131072,
"relativePath": "data/brukerFolders/brukerWithoutExpno/pdata/1/1r",
"lastModified": 1675953739720
},
{
"name": "proc",
"size": 1947,
"relativePath": "data/brukerFolders/brukerWithoutExpno/pdata/1/proc",
"lastModified": 1675953739720
},
{
"name": "procs",
"size": 1906,
"relativePath": "data/brukerFolders/brukerWithoutExpno/pdata/1/procs",
"lastModified": 1675953739720
}
]
},
"spectra": [
{
"data": {},
"info": {},
"meta": {},
"display": {
"name": "withoutExpno/0",
"isVisible": true,
"isPeaksMarkersVisible": true,
"isRealSpectrumVisible": true,
"isVisibleInDomain": true
},
"id": "d64a545d-b974-44e3-bcc9-cfa52c2fb18a",
"filters": [],
"peaks": {
"values": [],
"options": {}
},
"ranges": {
"values": []
},
"integrals": {
"values": [],
"options": {}
},
"selector": {
"files": [
"data/brukerFolders/brukerWithoutExpno/acqus",
"data/brukerFolders/brukerWithoutExpno/fid",
"data/brukerFolders/brukerWithoutExpno/pdata/1/procs"
]
}
},
{
"data": {},
"info": {},
"meta": {},
"display": {
"name": "withoutExpno/0",
"isVisible": true,
"isPeaksMarkersVisible": true,
"isRealSpectrumVisible": true,
"isVisibleInDomain": true
},
"id": "4a545db9-7444-437c-89cf-a52c2fb18ae4",
"filters": [],
"selector": {
"files": [
"data/brukerFolders/brukerWithoutExpno/pdata/1/1i",
"data/brukerFolders/brukerWithoutExpno/pdata/1/1r",
"data/brukerFolders/brukerWithoutExpno/acqus",
"data/brukerFolders/brukerWithoutExpno/pdata/1/proc",
"data/brukerFolders/brukerWithoutExpno/pdata/1/procs"
]
},
"peaks": {
"values": [],
"options": {}
},
"ranges": {
"values": []
},
"integrals": {
"values": [],
"options": {}
}
}
],
"molecules": []
},
"version": 4
}

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