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wil-190619-180641_oa

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DataCite Commons2024-08-14 更新2025-04-16 收录
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This dataset contains NMR spectra obtained for the sample -wil-190619-180641_oa date: 2019-06-19T16:33:02.000Z isFt: false name: wil-190619-180641_oa/1 phc0: 13.77798 phc1: 48.38174 type: NMR FID DECIM: 3328 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00008319999999999985 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: 1d groupDelay: 67.9842681884766 temperature: 298.16 spectrumSize: 32768 baseFrequency: 300.13 digitalFilter: 67.9842681884766 fieldStrength: 7.049031799154046 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 20.0232508628897 numberOfPoints: 14 relaxationTime: 1 acquisitionTime: 0.001081599999999998 frequencyOffset: 1853.0026200096472 originFrequency: 300.13185300262 pulseStrength90: 22935.77981651376 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T16:33:02.000Z isFt: true name: wil-190619-180641_oa/1 phc0: 13.77798 phc1: 48.38174 type: NMR Spectrum DECIM: 3328 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 1.5402500663761307 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: 1d groupDelay: 67.9842681884766 temperature: 298.16 spectrumSize: 32768 baseFrequency: 300.13 fieldStrength: 7.049031799154046 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 20.0232508628897 numberOfPoints: 14 relaxationTime: 1 acquisitionTime: 0.001081599999999998 frequencyOffset: 1853.0026200096472 originFrequency: 300.13185300262 pulseStrength90: 22935.77981651376 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T16:50:16.000Z isFt: false name: wil-190619-180641_oa/2 phc0: -53.4077 phc1: -3.064588 type: NMR FID DECIM: 1013.33333333333 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000025333333333333303 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: 1d groupDelay: 67.9891052246094 temperature: 299.16 spectrumSize: 65536 baseFrequency: 75.467749 digitalFilter: 67.9891052246094 fieldStrength: 7.047530271949235 numberOfScans: 192 pulseSequence: zgpg30 spectralWidth: 261.497817794127 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0002786666666666663 frequencyOffset: 8376.467332496417 originFrequency: 75.4761254673325 pulseStrength90: 25000 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T16:50:16.000Z isFt: true name: wil-190619-180641_oa/2 phc0: -53.4077 phc1: -3.064588 type: NMR Spectrum DECIM: 1013.33333333333 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 23.77252889037518 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: 1d groupDelay: 67.9891052246094 temperature: 299.16 spectrumSize: 65536 baseFrequency: 75.467749 fieldStrength: 7.047530271949235 numberOfScans: 192 pulseSequence: zgpg30 spectralWidth: 261.497817794127 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0002786666666666663 frequencyOffset: 8376.467332496417 originFrequency: 75.4761254673325 pulseStrength90: 25000 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T17:00:09.000Z isFt: false name: wil-190619-180641_oa/3 phc0: 142.1428 phc1: -31.9269 type: NMR FID DECIM: 1013.33333333333 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000025333333333333303 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: dept groupDelay: 67.9891052246094 temperature: 299.16 spectrumSize: 32768 baseFrequency: 75.467749 digitalFilter: 67.9891052246094 fieldStrength: 7.047530271949235 numberOfScans: 96 pulseSequence: deptsp135 spectralWidth: 261.497817794127 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0002786666666666663 frequencyOffset: 8376.467332496417 originFrequency: 75.4761254673325 pulseStrength90: 25000 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-06-19T17:00:09.000Z isFt: true name: wil-190619-180641_oa/3 phc0: 142.1428 phc1: -31.9269 type: NMR Spectrum DECIM: 1013.33333333333 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 23.77252889037518 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z828401/0054 experiment: dept groupDelay: 67.9891052246094 temperature: 299.16 spectrumSize: 32768 baseFrequency: 75.467749 fieldStrength: 7.047530271949235 numberOfScans: 96 pulseSequence: deptsp135 spectralWidth: 261.497817794127 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0002786666666666663 frequencyOffset: 8376.467332496417 originFrequency: 75.4761254673325 pulseStrength90: 25000 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

本数据集包含针对样本wil-190619-180641_oa采集的核磁共振(Nuclear Magnetic Resonance, NMR)相关数据,包含自由感应衰减(Free Induction Decay, FID)信号及经傅里叶变换后的NMR谱图,详细采集参数如下: ### 条目1:wil-190619-180641_oa/1 1. 采集时间:2019-06-19T16:33:02.000Z 2. 是否经傅里叶变换:否 3. 数据类型:NMR FID(核磁共振自由感应衰减信号) 4. 零级相位校正参数phc0: 13.77798,一级相位校正参数phc1: 48.38174 5. 抽取因子DECIM: 3328 6. 采集模式aqMod: 3 7. 是否为FID:是 8. 时域偏移tdOff: 0 9. 标题:参数文件,TOPSPIN 版本3.2,DSPFVS: 20 10. 观测核:1H(氢核) 11. 是否反转:否 12. 溶剂:CDCl3(氘代氯仿) 13. 实验维度:1(一维实验) 14. 采样增量:0.00008319999999999985 15. 是否为复数值:是 16. 探头型号:5 mm PABBO BB-1H/D Z-GRD Z828401/0054 17. 实验类型:1d(一维实验) 18. 群延迟:67.9842681884766 19. 实验温度:298.16 K 20. 光谱点数:32768 21. 基频:300.13 22. 数字滤波器参数:67.9842681884766 23. 磁场强度:7.049031799154046 24. 扫描累加次数:24 25. 脉冲序列:zg30 26. 谱宽:20.0232508628897 27. 有效采样点数:14 28. 弛豫延迟时间:1 29. 采集时长:0.001081599999999998 30. 频率偏移量:1853.0026200096472 31. 初始频率:300.13185300262 32. 90°脉冲功率:22935.77981651376 33. 实验编号:1 34. 采集方案:未定义 35. 线性预测区间:0 36. 线性预测系数数量:0 37. 窗函数乘模式:1 该条目下另有经傅里叶变换后的谱图数据: 采集时间:2019-06-19T16:50:16.000Z 是否经傅里叶变换:是 数据类型:NMR Spectrum(核磁共振谱图) 采样增量:1.5402500663761307 其余参数与上述FID数据一致,相位校正参数为phc0: 13.77798,phc1: 48.38174 ### 条目2:wil-190619-180641_oa/2 1. 采集时间:2019-06-19T16:50:16.000Z 2. 是否经傅里叶变换:否 3. 数据类型:NMR FID(核磁共振自由感应衰减信号) 4. 零级相位校正参数phc0: -53.4077,一级相位校正参数phc1: -3.064588 5. 抽取因子DECIM: 1013.33333333333 6. 采集模式aqMod: 3 7. 是否为FID:是 8. 时域偏移tdOff: 0 9. 标题:参数文件,TOPSPIN 版本3.2,DSPFVS: 20 10. 观测核:13C(碳十三核) 11. 是否反转:否 12. 溶剂:CDCl3(氘代氯仿) 13. 实验维度:1(一维实验) 14. 采样增量:0.000025333333333333303 15. 是否为复数值:是 16. 探头型号:5 mm PABBO BB-1H/D Z-GRD Z828401/0054 17. 实验类型:1d(一维实验) 18. 群延迟:67.9891052246094 19. 实验温度:299.16 K 20. 光谱点数:65536 21. 基频:75.467749 22. 数字滤波器参数:67.9891052246094 23. 磁场强度:7.047530271949235 24. 扫描累加次数:192 25. 脉冲序列:zgpg30 26. 谱宽:261.497817794127 27. 有效采样点数:12 28. 弛豫延迟时间:2 29. 采集时长:0.0002786666666666663 30. 频率偏移量:8376.467332496417 31. 初始频率:75.4761254673325 32. 90°脉冲功率:25000 33. 实验编号:2 34. 采集方案:未定义 35. 线性预测区间:0 36. 线性预测系数数量:0 37. 窗函数乘模式:1 该条目下另有经傅里叶变换后的谱图数据: 采集时间:2019-06-19T16:50:16.000Z 是否经傅里叶变换:是 数据类型:NMR Spectrum(核磁共振谱图) 采样增量:23.77252889037518 其余参数与上述FID数据一致,相位校正参数为phc0: -53.4077,phc1: -3.064588 ### 条目3:wil-190619-180641_oa/3 1. 采集时间:2019-06-19T17:00:09.000Z 2. 是否经傅里叶变换:否 3. 数据类型:NMR FID(核磁共振自由感应衰减信号) 4. 零级相位校正参数phc0: 142.1428,一级相位校正参数phc1: -31.9269 5. 抽取因子DECIM: 1013.33333333333 6. 采集模式aqMod: 3 7. 是否为FID:是 8. 时域偏移tdOff: 0 9. 标题:参数文件,TOPSPIN 版本3.2,DSPFVS: 20 10. 观测核:13C(碳十三核) 11. 是否反转:否 12. 溶剂:CDCl3(氘代氯仿) 13. 实验维度:1(一维实验) 14. 采样增量:0.000025333333333333303 15. 是否为复数值:是 16. 探头型号:5 mm PABBO BB-1H/D Z-GRD Z828401/0054 17. 实验类型:dept(无畸变极化转移增强实验) 18. 群延迟:67.9891052246094 19. 实验温度:299.16 K 20. 光谱点数:32768 21. 基频:75.467749 22. 数字滤波器参数:67.9891052246094 23. 磁场强度:7.047530271949235 24. 扫描累加次数:96 25. 脉冲序列:deptsp135 26. 谱宽:261.497817794127 27. 有效采样点数:12 28. 弛豫延迟时间:2 29. 采集时长:0.0002786666666666663 30. 频率偏移量:8376.467332496417 31. 初始频率:75.4761254673325 32. 90°脉冲功率:25000 33. 实验编号:3 34. 采集方案:未定义 35. 线性预测区间:0 36. 线性预测系数数量:0 37. 窗函数乘模式:1 该条目下另有经傅里叶变换后的谱图数据: 采集时间:2019-06-19T17:00:09.000Z 是否经傅里叶变换:是 数据类型:NMR Spectrum(核磁共振谱图) 采样增量:23.77252889037518 其余参数与上述FID数据一致,相位校正参数为phc0: 142.1428,phc1: -31.9269
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nmrXiv
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2024-08-14
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