Wed May 08 11:22:17.850 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:22:17.850 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_65\1\pdata\1
Wed May 08 11:22:17.882 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:22:17.882 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:22:17.897 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:22:17.991 CEST 2019: No HSQC data available
Wed May 08 11:22:18.038 CEST 2019: No C13 data available
Wed May 08 11:22:18.085 CEST 2019: No HMBC data available
Wed May 08 11:22:18.109 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 11:22:18.187 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 11:22:19.328 CEST 2019: Structure is used: true
Wed May 08 11:22:19.346 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_65/1/F05.mol
Wed May 08 11:22:19.358 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.16 s.
Wed May 08 11:22:19.398 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:22:19.406 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:22:19.416 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:22:19.416 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:22:19.432 CEST 2019: Spectrum is suppressed.
Wed May 08 11:22:19.448 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:22:19.448 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:22:19.463 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:22:19.479 CEST 2019: Expected impurity: TSP
Wed May 08 11:22:19.496 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:22:19.496 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 11:22:19.512 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 11:22:19.517 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:22:19.532 CEST 2019: RMSD noise: 668.163 (10.704/10.204)
Wed May 08 11:22:19.532 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:22:19.548 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:22:19.563 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:22:19.610 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:22:19.891 CEST 2019: Number of Peaks: (80, 19)
Wed May 08 11:22:19.919 CEST 2019: Elapsed time for evaluation (PP Suite): 0.30 s.
Wed May 08 11:22:19.929 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:22:19.939 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:22:19.950 CEST 2019: Signal-to-Noise ratio: 636.85 (3.212 ppm)
Wed May 08 11:22:19.962 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:22:19.972 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:22:19.982 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.61 s.
Wed May 08 11:22:20.084 CEST 2019: Number of Multiplets: 156
Wed May 08 11:22:20.094 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Wed May 08 11:22:21.289 CEST 2019: Number of Peak Cluster: 25
Wed May 08 11:22:21.299 CEST 2019: Elapsed time for evaluation (PCG Suite): 1.19 s.
Wed May 08 11:22:21.522 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.22 s.
Wed May 08 11:22:22.035 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.51 s.
Wed May 08 11:22:22.067 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 11:22:22.082 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:22:22.098 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:22:22.104 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:22:22.120 CEST 2019: Number of consistent PNS: 45
Wed May 08 11:22:22.136 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:22:22.172 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 11:22:22.188 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:22:23.583 CEST 2019: Elapsed time for evaluation (BU Suite): 1.47 s.
Wed May 08 11:22:23.613 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:22:23.624 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:22:24.403 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 11:22:24.413 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:22:24.423 CEST 2019: CMC-q finished in 6.59 s.
