HMWDOM 915m Whole
收藏DataCite Commons2024-05-16 更新2025-04-16 收录
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This dataset contains NMR spectra obtained for the sample -HMWDOM 915m Whole date: 2022-06-28T01:17:36.000Z isFt: true name: HMWDOM 915m Whole/1 phc0: 244.68 phc1: 0 type: NMR Spectrum DECIM: 4120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 0.7582451499698437 isComplex: true probeName: Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: noesy groupDelay: 76 temperature: 298.002 spectrumSize: 16384 baseFrequency: 400.13 fieldStrength: 9.397691313082694 numberOfScans: 128 pulseSequence: noesygppr1d spectralWidth: 12.1319223995175 numberOfPoints: 17 relaxationTime: 2 acquisitionTime: 0.0016480000000000021 frequencyOffset: 1881.1791849770998 originFrequency: 400.131881179185 pulseStrength90: 20833.333333333332 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-06-28T10:09:50.000Z isFt: true name: HMWDOM 915m Whole/2 phc0: 71.9,0 phc1: 0,0 type: NMR Spectrum DECIM: 4120 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.2.0 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 0.21664147154777322 isComplex: false probeName: Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: null groupDelay: 9 temperature: 297.9977 spectrumSize: 2048,1024 baseFrequency: 400.13,400.13 fieldStrength: 9.397691313082694 numberOfScans: 256 pulseSequence: stebpgp1s19 spectralWidth: 12.1319224066753,9.91736514196476 numberOfPoints: 57 relaxationTime: 2 acquisitionTime: 0.005768000000000011 frequencyOffset: 1880.9431080057948,1880.9431080057948 originFrequency: 400.131880943108,400.131880943108 pulseStrength90: 20833.333333333332 experimentNumber: 2 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0
本数据集包含针对样品-HMWDOM 915m Whole采集的核磁共振(NMR)波谱数据,具体包含两个采集文件:
1. 第一个采集文件:
采集日期:2022-06-28T01:17:36.000Z,是否经过傅里叶变换(isFt):是,文件名称:HMWDOM 915m Whole/1,零阶相位校正参数(phc0):244.68,一阶相位校正参数(phc1):0,数据类型:NMR波谱,抽取因子(DECIM):4120,采集模式(aqMod):3,是否为时域自由衰减信号(isFid):否,时域偏移(tdOff):0,标题:参数文件,TopSpin 4.1.4,DSPFVS参数:21,观测核:¹H,是否反转采集(reverse):否,溶剂:氘代水(D₂O),维度:1(一维谱),采样步长(increment):0.7582451499698437,是否为复数据格式(isComplex):是,探头型号:Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT),实验类型:NOESY(核Overhauser效应谱),组延迟(groupDelay):76,实验温度:298.002 K,谱图尺寸:16384,基频:400.13 MHz,磁场强度:9.397691313082694 T,扫描次数:128,脉冲序列:noesygppr1d,谱宽:12.1319223995175 ppm,采样点数:17,弛豫延迟时间:2 s,采集时长:0.0016480000000000021 s,频率偏移:1881.1791849770998 Hz,起始频率:400.131881179185 MHz,90°脉冲强度:20833.333333333332 Hz,实验编号:1,线性预测窗大小:0,线性预测系数个数:0,窗函数乘法模式:1。
2. 第二个采集文件:
采集日期:2022-06-28T10:09:50.000Z,是否经过傅里叶变换(isFt):是,文件名称:HMWDOM 915m Whole/2,零阶相位校正参数(phc0):71.9,0,一阶相位校正参数(phc1):0,0,数据类型:NMR波谱,抽取因子(DECIM):4120,采集模式(aqMod):3,是否为时域自由衰减信号(isFid):否,时域偏移(tdOff):0,0,标题:参数文件,TopSpin 4.2.0,DSPFVS参数:21,观测核:¹H,¹H,是否反转采集(reverse):否,否,溶剂:氘代水(D₂O),维度:2(二维谱),采样步长:0.21664147154777322,是否为复数据格式(isComplex):否,探头型号:Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT),实验类型:无,组延迟:9,实验温度:297.9977 K,谱图尺寸:2048,1024,基频:400.13,400.13 MHz,磁场强度:9.397691313082694 T,扫描次数:256,脉冲序列:stebpgp1s19,谱宽:12.1319224066753,9.91736514196476 ppm,采样点数:57,弛豫延迟时间:2 s,采集时长:0.005768000000000011 s,频率偏移:1880.9431080057948,1880.9431080057948 Hz,起始频率:400.131880943108,400.131880943108 MHz,90°脉冲强度:20833.333333333332 Hz,实验编号:2,采集方案:非相位敏感模式(notPhaseSensitive),线性预测窗大小:0,0,线性预测系数个数:0,0,窗函数乘法模式:1,0。
提供机构:
nmrXiv
创建时间:
2024-05-16



