Wed May 08 16:25:58.645 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:25:58.645 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_G07\1\pdata\1
Wed May 08 16:25:58.677 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:25:58.677 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:25:58.692 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:25:58.739 CEST 2019: No HSQC data available
Wed May 08 16:25:58.770 CEST 2019: No C13 data available
Wed May 08 16:25:58.802 CEST 2019: No HMBC data available
Wed May 08 16:25:58.817 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:25:58.869 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 16:25:59.512 CEST 2019: Structure is used: true
Wed May 08 16:25:59.543 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_G07/1/G07.mol
Wed May 08 16:25:59.543 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.68 s.
Wed May 08 16:25:59.575 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:25:59.575 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:25:59.590 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:25:59.590 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:25:59.606 CEST 2019: Spectrum is suppressed.
Wed May 08 16:25:59.606 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 16:25:59.621 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:25:59.621 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:25:59.637 CEST 2019: Expected impurity: TSP
Wed May 08 16:25:59.637 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:25:59.653 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 16:25:59.653 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 16:25:59.668 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:25:59.668 CEST 2019: RMSD noise: 657.410 (-0.812/-1.312)
Wed May 08 16:25:59.685 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:25:59.701 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:25:59.701 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:25:59.732 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 16:25:59.983 CEST 2019: Number of Peaks: (48, 10)
Wed May 08 16:25:59.999 CEST 2019: Elapsed time for evaluation (PP Suite): 0.25 s.
Wed May 08 16:25:59.999 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:26:00.014 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:26:00.014 CEST 2019: Signal-to-Noise ratio: 5764.43 (1.236 ppm)
Wed May 08 16:26:00.030 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:26:00.046 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:26:00.046 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.49 s.
Wed May 08 16:26:00.092 CEST 2019: Number of Multiplets: 93
Wed May 08 16:26:00.092 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 16:26:00.172 CEST 2019: Number of Peak Cluster: 16
Wed May 08 16:26:00.187 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 16:26:00.328 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.14 s.
Wed May 08 16:26:00.674 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Wed May 08 16:26:00.690 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:26:00.706 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:26:00.721 CEST 2019: Number of consistent PNS: 0
Wed May 08 16:26:00.721 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:26:00.737 CEST 2019: Number of consistent PNS: 20
Wed May 08 16:26:00.752 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:26:00.768 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:26:00.784 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:26:01.360 CEST 2019: Elapsed time for evaluation (BU Suite): 0.63 s.
Wed May 08 16:26:01.391 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 16:26:01.391 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 16:26:02.121 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.74 s.
Wed May 08 16:26:02.131 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:26:02.131 CEST 2019: CMC-q finished in 3.49 s.
