Ultraclean pure shift NMR

Dataset

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Description

Content type: Research data
Research data type: Experimental data
Full experimental data and software for the SAPPHIRE method for ultraclean pure shift NMR.
Abstract: Full experimental data and software for the SAPPHIRE method for ultraclean pure shift NMR.
Table of contents: Bruker pulse sequence [pulse_sequencesBruker] 1) sapphire_ZS 2) sapphire_PSYCHE Bruker pulse sequence [pulse_sequencesVarian] 1) sapphire.c
Bruker au programms [processing_softwareBruker] 1) pm_pshift : pure shift au program for the SAPPHIRE 3D data 2) pm_fidadd : au program for the averaging of pure shift spectra acquired with different J-evolution times Varian macros [processing_softwareVarian] 1) pm_pshift_v : pure shift au program for the SAPPHIRE 3D data 2) pm_fidadd_v : au program for the averaging of pure shift spectra acquired with different J-evolution times
Experimental Data [data] Main text: 1) Fig. 1a 200: 1D data set 2) Fig. 1b/c 213: 2D data set 3) Fig. 1d 202: 3D data set 4) Fig. 1e 1: 1D data set 5) Fig. 3 202: 3D data set Supplementary Information: 1) Fig. S3 PM_01_Rosuvastatin_proton_256scans_H1_2017-04-05_v500_s2pul_3ax2_01.fid: 1D data set 2) Fig. S4 PM_01_BEM_proton_256scans_H1_2017-03-09_v500_s2pul_3ax2_01.fid: 1D data set 3) Fig. S5a PM_06_Ethyl_isovalerate_2D_16Hz_16_H1_2017-04-05_v500_pm_GMZSnew_2D_3ax2_01.fid 2D data set PM_10_Ethyl_isovalerate_2D_63Hz_H1_2017-04-05_v500_pm_GMZSnew_2D_3ax2_01.fid: 2D data set PM_14_Ethyl_isovalerate_2D_53Hz_H1_2017-04-05_v500_pm_GMZSnew_2D_3ax2_01.fid 2D data set PM_16_Ethyl_isovalerate_2D_48Hz_H1_2017-04-05_v500_pm_GMZSnew_2D_3ax2_01.fid 2D data set PM_18_Ethyl_isovalerate_2D_43Hz_H1_2017-04-05_v500_pm_GMZSnew_2D_3ax2_01.fid 2D data set PM_20_Ethyl_isovalerate_2D_39Hz_H1_2017-04-05_v500_pm_GMZSnew_2D_3ax2_01.fid 2D data set PM_22_Ethyl_isovalerate_2D_34Hz_H1_2017-04-05_v500_pm_GMZSnew_2D_3ax2_01.fid 2D data set PM_24_Ethyl_isovalerate_2D_36Hz_H1_2017-04-05_v500_pm_GMZSnew_2D_3ax2_01.fid 2D data set 4) Fig. S5b PM_04_Ethyl_isovalerate_3Dtsp_39Hz_16_H1_2017-04-05_v500_pm_GMZSnew_14_3ax2_01.fid 3D data set 5) Fig. S8 209: 3D data set 6) Fig. S9a 213: 2D data set 7) Fig. S9b 206: 2D data set 8) Fig. S9c 208: 2D data set 9) Fig. S9d 202: 3D data set 10) Fig. S9e 205: 3D data set 11) Fig. S9f 207: 3D data set 12) Fig. S10a 203: 2D data set 13) Fig. S10b 204: 3D data set 12) Fig. S11a 210: 2D data set 13) Fig. S11b 209: 3D data set 12) Fig. S12a 213: 2D data set 13) Fig. S12b 202: 3D data set
Additional [additional] 1) PSYCHE_Saltire_10kHz_30m : double saltire pulse shape file
Date made available7 Jun 2017
PublisherUniversity of Manchester