Comments (2)
hamed-musallam
commented on July 21, 2024
1
@CS76
the dataChange is ready, it returns the whole data that NMRium processed, you need to look for the data object which is an array of spectra
data:[
//you need to look inside the `info` and `meta` object, `info` object containing information extracted from the meta, if you need the original information as it is you need to check the `meta` you can check it from the 'information panel' in NMRium meta
{info,meta,...etc}, ...etc
]example of info data
{
acquisitionTime: 3.635049600000004
baseFrequency: 150.92041
date: "2010-04-11T13:05:24.000Z"
dimension: 1
experiment: "1d"
fieldStrength: 14.09365155611028
frequencyOffset: 15093.08999999348
increment: 0.0009113144498505854
isComplex: true
isFid: false
isFt: true
nucleus: "13C"
numberOfPoints: 262144
numberOfScans: 1024
originFrequency: 150.93550309
probeName: "5 mm TBI 1H/31P/D-BB Z-GRD Z8704/0003"
pulseSequence: "zgdc30"
pulseStrength90: 16666.666666666668
relaxationTime: 2.5
sampleName: "Cytisin_nes"
solvent: "CD2Cl2"
spectralWidth: 238.894703827182
temperature: 293
title: "13C zgdc30 TBI"
type: "NMR SPECTRUM"
}example of meta data
{
.ACQUISITIONMODE: "SIMULTANEOUS (DQD)"
.ACQUISITIONSCHEME: "undefined"
.AVERAGES: 1024
.DIGITISERRES: 21
.OBSERVEFREQUENCY: 150.93550309
.OBSERVENUCLEUS: "^13C"
.PULSESEQUENCE: "zgdc30"
.SHIFTREFERENCE: "INTERNAL, CD2Cl2, 1, 219.4662"
.SOLVENTNAME: "CD2Cl2"
ABSF1: 0
ABSF2: 0
ABSG: 0
ABSL: 0
ACQT0: -3.15126050420168
ALPHA: 0
AMP: "(0..31)\n100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100\n100 100 100 100 100 100 100 100 100 100 100 100 100 100"
AMPCOIL: "(0..19)\n0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0"
ANAVPT: -1
AQORDER: 0
AQSEQ: 0
AQ_mod: 3
ASSFAC: 0
ASSFACI: 0
ASSFACX: 0
ASSWID: 0
AUDITTRAIL: "$$ (NUMBER, WHEN, WHO, WHERE, PROCESS, VERSION, WHAT)\n$$ ##TITLE= Audit trail, TopSpin 3.5.b.91 pl 7\n$$ ##JCAMPDX= 5.01\n$$ ##ORIGIN= Bruker BioSpin GmbH\n$$ ##OWNER= nes\n$$ $$ C:\\transferNMR/Cytisin_nes/13/pdata/1/auditp.txt\n$$ ##AUDIT TRAIL= $$ (NUMBER, WHEN, WHO, WHERE, PROCESS, VERSION, WHAT)\n( 1,<2010-04-11 16:24:42.183 +0200>,<NMR_mess>,<av600>,<go>,<TOPSPIN 2.1>,\n <created by zg\n\tstarted at 2010-04-11 14:38:22.760 +0200,\n\tPOWCHK disabled, PULCHK disabled,\n configuration hash MD5:\n 38 F1 0A A0 95 02 F7 E0 58 06 4F 33 E3 80 A0 CB\n data hash MD5: 256K\n 7E F3 7B CE 3F A2 B5 8D AD F6 6E 3E B0 CE BB 79>)\n( 2,<2019-07-01 15:18:36.205 +0200>,<nes>,<nmr-dd-nes>,<proc1d>,<TopSpin 3.5.b.91.7>,\n <Start of raw data processing\n efp LB = 0.5 FT_mod = 6 PKNL = 1 PHC0 = 13.94501 PHC1 = -75.84194 SI = 512K \n data hash MD5: 512K\n F9 34 64 75 47 A5 54 71 71 CC 29 2B 32 4E 59 E8>)\n$$ ##END=\n$$ \n$$ $$ hash MD5\n$$ $$ 0C 4D BB C5 77 4E 15 B7 E9 FE E5 DF 79 16 E4 8D"
AUNM: "<au_zg>"
AUNMP: "<>"
AUTOPOS: "<>"
AXLEFT: 0
AXNAME: "<>"
AXNUC: "<13C>"
AXRIGHT: 0
AXTYPE: 0
AXUNIT: "<>"
AZFE: 0.1
AZFW: 0.1
BCFW: 0
BC_mod: 0
BF1: 150.92041
BF2: 600.2
BF3: 600.2
BF4: 150.930468
BF5: 500.13
BF6: 500.13
BF7: 500.13
BF8: 500.13
BRUKER FILE EXP: (6) ['cpdprg2\n$$ ;$OWNER=Bruker\n$$ 1 pcpd*3:180\n$$ pcp…:180\n$$ pcpd*2:0\n$$ pcpd*3:180\n$$ jump to 1', 'format.temp\n$$ EDIT_PAR COMMAND FILE\n$$ \n$$ DI_MOD…FO2\n$$ \t\tFORMAT\t"%14.7f MHz"\n$$ \t\tTEXT\t" "\n$$ END', 'scon2\n$$ ##TITLE= Parameter file, TOPSPIN\t\tVersion…PA= 4.5\n$$ ##$DERX= 1.5\n$$ ##$FILCOR= 0\n$$ ##END=', 'pulseprogram\n$$ # 1 "/opt/topspin/exp/stan/nmr/lis…;$Id: zgdc30,v 1.10 2007/04/11 13:34:31 ber Exp $', 'shimvalues\n$$ # Sun Apr 11 15:05:24 2010\n$$ #$$PRO…-514.16577439 \n$$ SHIM_SETTING [40] 0.00000000', 'uxnmr.par\n$$ ##TITLE= Parameter file, TOPSPIN\t\tVer…0 0 0 0 0 0 0 0 0 0 0 0 0\n$$ ##$XFAC= 2\n$$ ##END=']
BRUKER FILE PROC: "peakrng\n$$ P #regions in PPM\n$$ # 2010-04-13 11:33:09 +0200 nes@oc1-nes\n$$ # low field high field mi maxi\n$$ 164.7159928701147 159.4322162508502 1.641 2.077 # for region 1\n$$ 153.9187102133568 150.24303952169456 1.438 1.816 # for region 2\n$$ 141.51332162899672 135.31062733681665 3.631 4.285 # for region 3\n$$ 118.54037980610764 115.32416795090316 4.372 4.939 # for region 4\n$$ 105.44580296706086 100.62148518425415 4.779 5.244 # for region 5\n$$ 50.54047201035597 47.3242601551515 4.212 4.503 # for region 6\n$$ 36.526977498393634 33.77022447964694 4.648 5.128 # for region 7\n$$ 28.945906696840236 25.040506586949093 5.011 5.767 # for region 8"
BWFAC: "(0..63)\n0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0\n0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0"
BYTORDA: 0
BYTORDP: 0
CAGPARS: "(0..11)\n0 0 0 0 0 0 0 0 0 0 0 0"
CHEMSTR: "<none>"
CNST: "(0..63)\n1 1 145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1\n1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1"
COROFFS: 0
CPDPRG: "(0..8)\n<waltz16> <> <waltz16> <> <mlev> <mlev> <mlev> <mlev> <mlev>"
CURPLOT: "<printer>"
CURPRIN: "<$noprint>"
CY: 15
D: "(0..63)\n0 2.5 0.00345 0 0 0 0 0 0 0 0 0.03 2e-005 3e-006 0 0 0 0 0 0 0 0 0 0 0\n0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0\n0 0 0"
DATACLASS: "NTUPLES"
DATATYPE: "NMR SPECTRUM"
DATE: 1270991124
DATMOD: 1
DATPATH: "<C:\\transferNMR>"
DC: 0
DE: 6
DECBNUC: "<off>"
DECIM: 554.666666666667
DECNUC: "<off>"
DECSTAT: 4
DFILT: "<>"
DFORMAT: "<normdp>"
DIGMOD: 1
DIGTYP: 12
DQDMODE: 0
DR: 21
DS: 4
DSPFIRM: 0
DSPFVS: 20
DTYPA: 0
DTYPP: 0
ENDNTUPLES: "NMR SPECTRUM"
ERETIC: "no"
EXP: "<13c_zgdc30_tbi.nes>"
EXPNO: 13
F1P: 0
F2P: 0
FACTOR: "0.0687745901254507, 1, 1"
FCOR: 0.5
FCUCHAN: "(0..9)\n0 1 2 0 0 0 0 0 0 0"
FIRST: "36057.6235331022, 393038, -46639"
FL1: 83
FL2: 83
FL3: 83
FL4: 83
FN_INDIRECT: "(0..7)\n0 0 0 0 0 0 0 0"
FOV: 20
FQ1LIST: "<freqlist>"
FQ2LIST: "<freqlist>"
FQ3LIST: "<freqlist>"
FQ4LIST: "<freqlist>"
FQ5LIST: "<freqlist>"
FQ6LIST: "<freqlist>"
FQ7LIST: "<freqlist>"
FQ8LIST: "<freqlist>"
FRQLO3: 1212934.41
FRQLO3N: 0
FS: "(0..7)\n83 83 83 83 83 83 83 83"
FTLPGN: 0
FTSIZE: 524288
FT_mod: 6
FW: 250000
FnILOOP: 0
FnMODE: 0
FnTYPE: 0
GAMMA: 0
GB: 0
GPNAM: "(0..31)\n<SINE.100> <SINE.100> <SINE.100> <SINE.100> <SINE.100> <SINE.100> <SINE.100>\n<SINE.100> <SINE.100> <SINE.100> <SINE.100> <SINE.100> <SINE.100> <SINE.100>\n<SINE.100> <SINE.100> <SINE.100> <SINE.100> <SINE.100> <SINE.100> <SINE.100>\n<SINE.100> <SINE.100> <SINE.100> <SINE.100> <SINE.100> <SINE.100> <SINE.100>\n<SINE.100> <SINE.100> <SINE.100> <SINE.100>"
GPX: "(0..31)\n0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0"
GPY: "(0..31)\n0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0"
GPZ: "(0..31)\n0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0"
GRDPROG: "<>"
GRPDLY: 67.9918823242188
HDDUTY: 20
HDRATE: 20
HGAIN: "(0..3)\n0 0 0 0"
HL1: 3
HL2: 83
HL3: 83
HL4: 83
HOLDER: 0
HPMOD: "(0..7)\n0 0 0 0 0 0 0 0"
HPPRGN: 0
IN: "(0..63)\n0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001\n0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001\n0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001\n0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001\n0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001\n0.001 0.001 0.001 0.001"
INF: "(0..7)\n0 0 0 0 0 0 0 0"
INP: "(0..63)\n0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0\n0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0"
INSTRUM: "<spect>"
INTBC: 1
INTEGFAC: "(0..63)\n0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0\n0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0"
INTSCL: 1
ISEN: 128
JCAMPDX: "6.0 $$ Bruker NMR JCAMP-DX V2.0"
L: "(0..31)\n1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1"
LAST: "0, 67821, -378152"
LAYOUT: "<+/1D_X.xwp>"
LB: 0.5
LEV0: 0
LFILTER: 100
LFORMAT: "<normlp>"
LGAIN: -7
LINPSTP: 0
LOCKED: "no"
LOCKFLD: 5789
LOCKGN: 117.300003051758
LOCKPOW: -29.9995136260986
LOCKPPM: 5.32000017166138
LOCNUC: "<2H>"
LOCPHAS: 280.3
LOCSHFT: "yes"
LOCSW: 0
LONGDATE: "2010/04/11 13:05:24+0000\n$$ 1.90.2.2 TopSpin 3.5.b.91 pl 7\n$$ 2019-07-01 15:23:50.658 +0200 nes@nmr-dd-nes\n$$ Compression mode = diff/dup"
LPBIN: 0
LTIME: 0.25
MASR: 4200
MASRLST: "<masrlst>"
MAX: "36057.6235331022, 304142267, 6525873\n$$ Real data points"
MAXI: 10000
MC2: 0
MEAN: 0
ME_mod: 0
MI: 0
MIN: "0, -1343565, -6675552"
MULEXPNO: "(0..15)\n0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0"
MddCEXP: "no"
MddCT_SP: "no"
MddF180: "no"
MddLAMBDA: 0
MddMEMORY: 0
MddMERGE: 0
MddNCOMP: 0
MddNITER: 0
MddNOISE: 0
MddPHASE: 0
MddSEED: 0
MddSRSIZE: 0
Mdd_CsALG: 0
Mdd_CsLAMBDA: 0
Mdd_CsNITER: 0
Mdd_CsNORM: 0
Mdd_CsVE: "no"
Mdd_CsZF: 0
Mdd_LrLAMBDA: 0
Mdd_LrNITER: 0
Mdd_LrRANK: 0
Mdd_LrZF: 0
Mdd_mod: 0
NAME: "<Cytisin_nes>"
NBL: 1
}from nmrium-react-wrapper.
hamed-musallam
commented on July 21, 2024
from nmrium-react-wrapper.
Related Issues (20)
- Spectra files downloaded multiple times HOT 4
- NMRium crash when load 2d and 1D fid spectra HOT 1
- Differences in nmrium exported data as sources and wrapper event data HOT 1
- Peak picking tool needs to be enabled by default in the embeded workspace HOT 2
- Auto delete branch when PR is merged. HOT 2
- Chemotion - NMRium schema compatibility HOT 6
- Release Chemotion Docker images / Chemotion CLI with fully working NMRium integration
- Informing whitelist members about latest Chemotion - NMRium RW release
- Auto version resolution based on source query parameter HOT 1
- Package NMRium React Wrapper releases as docker images and push them to docker hub HOT 1
- Distribute NMRium RW as a service on docker compose / Helm Charts
- Update prod build workflow
- The loading for 2D NMR is too slow HOT 5
- The nmrium file can't be read HOT 3
- Embedded mode update HOT 4
- Expose Auto-Ranges picking/detection from the service
- Change "Auto assignments" panel name to "Assignments" HOT 1
- Expose rangest to ACS String via API HOT 3
- 2D NMR display / processing issues HOT 3
- Pre-processing issues HOT 3
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from nmrium-react-wrapper.