5d
收藏DataCite Commons2025-04-08 更新2025-04-16 收录
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This dataset contains NMR spectra obtained for the sample -5d date: 2023-09-13T11:25:59.000Z isFt: true name: 5d/1 phc0: -184.7142 phc1: 19.76996 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.0 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 2.2836004482497554 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0120 experiment: 1d groupDelay: 67.9842224121094 temperature: 297.1042 spectrumSize: 65536 baseFrequency: 400.13 fieldStrength: 9.397691313082694 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.5524040342478 numberOfPoints: 10 relaxationTime: 1 acquisitionTime: 0.0005471999999999999 frequencyOffset: 2470.966543000941 originFrequency: 400.132470966543 pulseStrength90: 25000 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-09-13T15:37:23.000Z isFt: true name: 5d/2 phc0: -50.87736 phc1: 43.48593 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 32.86343832853677 isComplex: false probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0120 experiment: 1d groupDelay: 67.9838256835938 temperature: 298.1169 spectrumSize: 32768 baseFrequency: 100.612769 fieldStrength: 9.395689478854546 numberOfScans: 512 pulseSequence: zgpg30 spectralWidth: 295.770944956831 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00015119999999999993 frequencyOffset: 12073.532279998744 originFrequency: 100.62484253228 pulseStrength90: 27777.777777777777 experimentNumber: 2 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1
本数据集包含采集得到的核磁共振波谱(NMR Spectrum),共包含两组参数完整的波谱数据,详情如下:
第一组波谱数据:
- 采集日期:2023-09-13T11:25:59.000Z
- 已完成傅里叶变换
- 样本命名:5d/1
- 0阶相位校正值:-184.7142
- 1阶相位校正值:19.76996
- 数据类型:核磁共振波谱(NMR Spectrum)
- 降采样因子:2432
- 采集模式:3
- 非时域自由感应衰减信号
- 时域偏移量:0
- 参数文件信息:TOPSPIN 版本3.0,DSPFVS:20
- 观测原子核:¹H
- 信号未反转
- 溶剂:氘代氯仿(CDCl3)
- 谱维度:一维
- 采样增量:2.2836004482497554
- 数据为复数值
- 探头型号:5 mm PABBO BB-1H/D Z-GRD Z108618/0120
- 实验类型:一维实验
- 组延迟:67.9842224121094
- 测试温度:297.1042
- 谱数据尺寸:65536
- 基频:400.13
- 磁场强度:9.397691313082694 T
- 扫描累加次数:16
- 脉冲序列:zg30
- 谱宽:20.5524040342478
- 有效采样点数:10
- 弛豫延迟时间:1
- 采集时间:0.0005471999999999999
- 频率偏移量:2470.966543000941
- 起始频率:400.132470966543
- 90°射频脉冲功率:25000
- 实验编号:1
- 线性预测箱参数:0
- 线性预测系数数量:0
- 窗函数乘法模式:1
第二组波谱数据:
- 采集日期:2023-09-13T15:37:23.000Z
- 已完成傅里叶变换
- 样本命名:5d/2
- 0阶相位校正值:-50.87736
- 1阶相位校正值:43.48593
- 数据类型:核磁共振波谱(NMR Spectrum)
- 降采样因子:672
- 采集模式:3
- 非时域自由感应衰减信号
- 时域偏移量:0
- 参数文件信息:TOPSPIN 版本3.0,DSPFVS:20
- 观测原子核:¹³C
- 信号未反转
- 溶剂:氘代氯仿(CDCl3)
- 谱维度:一维
- 采样增量:32.86343832853677
- 数据为实数值
- 探头型号:5 mm PABBO BB-1H/D Z-GRD Z108618/0120
- 实验类型:一维实验
- 组延迟:67.9838256835938
- 测试温度:298.1169
- 谱数据尺寸:32768
- 基频:100.612769
- 磁场强度:9.395689478854546 T
- 扫描累加次数:512
- 脉冲序列:zgpg30
- 谱宽:295.770944956831
- 有效采样点数:10
- 弛豫延迟时间:2
- 采集时间:0.00015119999999999993
- 频率偏移量:12073.532279998744
- 起始频率:100.62484253228
- 90°射频脉冲功率:27777.777777777777
- 实验编号:2
- 线性预测箱参数:0
- 线性预测系数数量:0
- 窗函数乘法模式:1
提供机构:
nmrXiv
创建时间:
2025-04-08



