Wed May 08 12:27:26.097 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:27:26.113 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_83\1\pdata\1
Wed May 08 12:27:26.144 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:27:26.144 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:27:26.160 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:27:26.208 CEST 2019: No HSQC data available
Wed May 08 12:27:26.254 CEST 2019: No C13 data available
Wed May 08 12:27:26.286 CEST 2019: No HMBC data available
Wed May 08 12:27:26.302 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:27:26.348 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 12:27:26.803 CEST 2019: Structure is used: true
Wed May 08 12:27:26.834 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_83/1/G11.mol
Wed May 08 12:27:26.850 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.48 s.
Wed May 08 12:27:26.885 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:27:26.900 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:27:26.900 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:27:26.916 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:27:26.932 CEST 2019: Spectrum is suppressed.
Wed May 08 12:27:26.932 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:27:26.947 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:27:26.963 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:27:26.963 CEST 2019: Expected impurity: TSP
Wed May 08 12:27:26.978 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:27:26.994 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 12:27:26.994 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 12:27:27.010 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:27:27.025 CEST 2019: RMSD noise: 672.246 (10.098/9.598)
Wed May 08 12:27:27.025 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:27:27.041 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:27:27.057 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:27:27.103 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 12:27:27.339 CEST 2019: Number of Peaks: (54, 11)
Wed May 08 12:27:27.355 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Wed May 08 12:27:27.370 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:27:27.370 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:27:27.386 CEST 2019: Signal-to-Noise ratio: 943.42 (7.594 ppm)
Wed May 08 12:27:27.402 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:27:27.402 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:27:27.417 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Wed May 08 12:27:27.464 CEST 2019: Number of Multiplets: 108
Wed May 08 12:27:27.480 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 12:27:27.589 CEST 2019: Number of Peak Cluster: 21
Wed May 08 12:27:27.589 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 12:27:27.778 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.18 s.
Wed May 08 12:27:28.137 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Wed May 08 12:27:28.152 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 12:27:28.168 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:27:28.184 CEST 2019: Number of consistent PNS: 2
Wed May 08 12:27:28.199 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 12:27:28.199 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 12:27:28.246 CEST 2019: Number of ASL: 8
Wed May 08 12:27:28.278 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Wed May 08 12:27:28.607 CEST 2019: Elapsed time for evaluation (IN Suite): 0.32 s.
Wed May 08 12:27:29.250 CEST 2019: Elapsed time for evaluation (BU Suite): 0.63 s.
Wed May 08 12:27:29.277 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 12:27:29.277 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Wed May 08 12:27:30.012 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Wed May 08 12:27:30.028 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:27:30.044 CEST 2019: CMC-q finished in 3.95 s.
