Wed May 08 09:16:22.831 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:16:22.831 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_17\1\pdata\1
Wed May 08 09:16:22.846 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:16:22.862 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:16:22.878 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:16:22.893 CEST 2019: No HSQC data available
Wed May 08 09:16:22.909 CEST 2019: No C13 data available
Wed May 08 09:16:22.924 CEST 2019: No HMBC data available
Wed May 08 09:16:22.940 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:16:23.003 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:16:23.471 CEST 2019: Structure is used: true
Wed May 08 09:16:23.486 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_17/1/34.mol
Wed May 08 09:16:23.486 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.48 s.
Wed May 08 09:16:23.502 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:16:23.517 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:16:23.517 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:16:23.533 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:16:23.533 CEST 2019: Spectrum is suppressed.
Wed May 08 09:16:23.549 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:16:23.549 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:16:23.564 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:16:23.564 CEST 2019: Expected impurity: TSP
Wed May 08 09:16:23.580 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:16:23.580 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 09:16:23.595 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 09:16:23.595 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:16:23.611 CEST 2019: RMSD noise: 661.372 (10.704/10.204)
Wed May 08 09:16:23.611 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:16:23.627 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:16:23.642 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:16:23.685 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:16:23.826 CEST 2019: Number of Peaks: (41, 10)
Wed May 08 09:16:23.857 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Wed May 08 09:16:23.858 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:16:23.858 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:16:23.874 CEST 2019: Signal-to-Noise ratio: 377.42 (1.192 ppm)
Wed May 08 09:16:23.874 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:16:23.890 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:16:23.890 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.40 s.
Wed May 08 09:16:23.921 CEST 2019: Number of Multiplets: 85
Wed May 08 09:16:23.936 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:16:23.999 CEST 2019: Number of Peak Cluster: 15
Wed May 08 09:16:24.015 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 09:16:24.077 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 09:16:24.362 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Wed May 08 09:16:24.379 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:16:24.395 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:16:24.395 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:16:24.410 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:16:24.426 CEST 2019: Number of consistent PNS: 30
Wed May 08 09:16:24.426 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:16:24.442 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:16:24.457 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:16:24.926 CEST 2019: Elapsed time for evaluation (BU Suite): 0.51 s.
Wed May 08 09:16:24.942 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:16:24.957 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:16:25.551 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Wed May 08 09:16:25.566 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:16:25.566 CEST 2019: CMC-q finished in 2.73 s.
