10043_M03

This dataset contains NMR spectra obtained for the sample -10043_M03 date: 2019-10-18T13:43:58.000Z isFt: true name: 10043_M03/20 phc0: -221.0467,0 phc1: 21.22372,0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.5 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: null isComplex: false probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: hsqc groupDelay: 68 temperature: 298.0014 spectrumSize: 1024,1024 baseFrequency: 600.17,150.912866534 fieldStrength: 14.095949804745555 numberOfScans: 4 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 16.0209895665619,180.049189498831 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 4201.1900000034075,12073.029000021052 originFrequency: 600.17420119,150.924939563 pulseStrength90: 31250 experimentNumber: 20 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2019-10-18T14:17:17.000Z isFt: true name: 10043_M03/21 phc0: -106.44 phc1: 0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.5 DSPFVS: 21 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 297.9992 spectrumSize: 65536 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 16.0209895665619 numberOfPoints: 1 relaxationTime: 5 acquisitionTime: 0 frequencyOffset: 4201.1900000034075 originFrequency: 600.17420119 pulseStrength90: 31250 experimentNumber: 21 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-18T14:48:36.000Z isFt: true name: 10043_M03/22 phc0: -222.7212,0 phc1: 20.84055,0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.5 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: null isComplex: false probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: hsqc groupDelay: 68 temperature: 297.9991 spectrumSize: 1024,1024 baseFrequency: 600.17,150.912866534 fieldStrength: 14.095949804745555 numberOfScans: 4 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 16.0209895665619,180.049189498831 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 4201.1900000034075,12073.029000021052 originFrequency: 600.17420119,150.924939563 pulseStrength90: 31250 experimentNumber: 22 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2019-10-04T13:54:10.000Z isFt: true name: 10043_M03/0 phc0: -80.02 phc1: 0 type: NMR Spectrum DECIM: 2080 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.5 DSPFVS: 21 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 298.0012 spectrumSize: 65536 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 16.0209895665619 numberOfPoints: 1 relaxationTime: 5 acquisitionTime: 0 frequencyOffset: 4201.1900000034075 originFrequency: 600.17420119 pulseStrength90: 31250 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-10-25T14:18:50.000Z isFt: true name: 10043_M03/0 phc0: -260.32 phc1: 0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.5 DSPFVS: 21 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: null isComplex: true probeName: Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z) experiment: noesy groupDelay: 76 temperature: 298.0016 spectrumSize: 65536 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: noesyigld1d spectralWidth: 19.8355208096248 numberOfPoints: 1 relaxationTime: 10 acquisitionTime: 0 frequencyOffset: 3901.105000068128 originFrequency: 600.173901105 pulseStrength90: 25354.969574036513 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

本数据集包含针对样本-10043_M03获取的核磁共振（Nuclear Magnetic Resonance, NMR）谱图，各谱图的详细参数如下：

1. 样本10043_M03/20：采集日期为2019-10-18T13:43:58.000Z，已完成傅里叶变换；相位校正参数phc0为-221.0467,0，phc1为21.22372,0；谱图类型为NMR谱；DECIM：2080；采集模式aqMod：3；非自由感应衰减（FID）信号；时域偏移tdOff：0,0；标题为TopSpin 4.0.5参数文件；DSPFVS：20；检测核为1H、13C；反向采集标记为false,false；溶剂为二甲基亚砜（DMSO）；维度为2维；增量为空；非复数值谱图；探头名称为Z151284_0001 (CP QCI 600S3 H/P/C-N-D-05 Z)；实验类型为HSQC；组延迟为68；温度为298.0014K；谱图尺寸为1024×1024；基频为600.17MHz、150.912866534MHz；场强为14.095949804745555T；扫描次数为4；脉冲序列为hsqcedetgpsisp2.3；谱宽为16.0209895665619Hz、180.049189498831Hz；点数为1；弛豫时间为2s；采集时间为0s；频率偏移为4201.1900000034075Hz、12073.029000021052Hz；初始频率为600.17420119MHz、150.924939563MHz；90度脉冲强度为31250；实验编号为20；采集方案为回波-反回波（Echo-antiecho）；线性预测区间为0,0；线性预测系数数量为0,0；窗函数乘法模式为4,4。

2. 样本10043_M03/21：采集日期为2019-10-18T14:17:17.000Z，已完成傅里叶变换；相位校正参数phc0为-106.44，phc1为0；谱图类型为NMR谱；DECIM：2080；采集模式为3；非FID信号；时域偏移为0；标题为TopSpin 4.0.5参数文件；DSPFVS：21；检测核为1H；反向采集标记为false；溶剂为DMSO；维度为1维；增量为空；复数值谱图；探头名称同前；实验类型为1D实验；组延迟为76；温度为297.9992K；谱图尺寸为65536；基频为600.17MHz；场强为14.095949804745555T；扫描次数为16；脉冲序列为zg30；谱宽为16.0209895665619Hz；点数为1；弛豫时间为5s；采集时间为0s；频率偏移为4201.1900000034075Hz；初始频率为600.17420119MHz；90度脉冲强度为31250；实验编号为21；线性预测区间为0；线性预测系数数量为0；窗函数乘法模式为1。

3. 样本10043_M03/22：采集日期为2019-10-18T14:48:36.000Z，已完成傅里叶变换；相位校正参数phc0为-222.7212,0，phc1为20.84055,0；谱图类型为NMR谱；DECIM：2080；采集模式为3；非FID信号；时域偏移为0,0；标题为TopSpin 4.0.5参数文件；DSPFVS：20；检测核为1H、13C；反向采集标记为false,false；溶剂为DMSO；维度为2维；增量为空；非复数值谱图；探头名称同前；实验类型为HSQC；组延迟为68；温度为297.9991K；谱图尺寸为1024×1024；基频为600.17MHz、150.912866534MHz；场强为14.095949804745555T；扫描次数为4；脉冲序列为hsqcedetgpsisp2.3；谱宽为16.0209895665619Hz、180.049189498831Hz；点数为1；弛豫时间为2s；采集时间为0s；频率偏移为4201.1900000034075Hz、12073.029000021052Hz；初始频率为600.17420119MHz、150.924939563MHz；90度脉冲强度为31250；实验编号为22；采集方案为回波-反回波；线性预测区间为0,0；线性预测系数数量为0,0；窗函数乘法模式为4,4。

4. 样本10043_M03/0（采集日期2019-10-04）：采集日期为2019-10-04T13:54:10.000Z，已完成傅里叶变换；相位校正参数phc0为-80.02，phc1为0；谱图类型为NMR谱；DECIM：2080；采集模式为3；非FID信号；时域偏移为0；标题为TopSpin 4.0.5参数文件；DSPFVS：21；检测核为1H；反向采集标记为false；溶剂为DMSO；维度为1维；增量为空；复数值谱图；探头名称同前；实验类型为1D实验；组延迟为76；温度为298.0012K；谱图尺寸为65536；基频为600.17MHz；场强为14.095949804745555T；扫描次数为16；脉冲序列为zg30；谱宽为16.0209895665619Hz；点数为1；弛豫时间为5s；采集时间为0s；频率偏移为4201.1900000034075Hz；初始频率为600.17420119MHz；90度脉冲强度为31250；实验编号为0；线性预测区间为0；线性预测系数数量为0；窗函数乘法模式为1。

5. 样本10043_M03/0（采集日期2019-10-25）：采集日期为2019-10-25T14:18:50.000Z，已完成傅里叶变换；相位校正参数phc0为-260.32，phc1为0；谱图类型为NMR谱；DECIM：1680；采集模式为3；非FID信号；时域偏移为0；标题为TopSpin 4.0.5参数文件；DSPFVS：21；检测核为1H；反向采集标记为false；溶剂为DMSO；维度为1维；增量为空；复数值谱图；探头名称同前；实验类型为NOESY实验；组延迟为76；温度为298.0016K；谱图尺寸为65536；基频为600.17MHz；场强为14.095949804745555T；扫描次数为16；脉冲序列为noesyigld1d；谱宽为19.8355208096248Hz；点数为1；弛豫时间为10s；采集时间为0s；频率偏移为3901.105000068128Hz；初始频率为600.173901105MHz；90度脉冲强度为25354.969574036513；实验编号为0；线性预测区间为0；线性预测系数数量为0；窗函数乘法模式为1。