Wed May 08 12:24:20.224 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:24:20.224 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_78\1\pdata\1
Wed May 08 12:24:20.256 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:24:20.256 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:24:20.272 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:24:20.319 CEST 2019: No HSQC data available
Wed May 08 12:24:20.366 CEST 2019: No C13 data available
Wed May 08 12:24:20.413 CEST 2019: No HMBC data available
Wed May 08 12:24:20.429 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:24:20.509 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 12:24:21.448 CEST 2019: Structure is used: true
Wed May 08 12:24:21.463 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_78/1/G06.mol
Wed May 08 12:24:21.479 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.96 s.
Wed May 08 12:24:21.514 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:24:21.530 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:24:21.530 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:24:21.546 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:24:21.546 CEST 2019: Spectrum is suppressed.
Wed May 08 12:24:21.561 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:24:21.577 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:24:21.577 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:24:21.592 CEST 2019: Expected impurity: TSP
Wed May 08 12:24:21.608 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:24:21.624 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 12:24:21.624 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 12:24:21.639 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:24:21.639 CEST 2019: RMSD noise: 717.204 (8.280/7.780)
Wed May 08 12:24:21.655 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:24:21.671 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:24:21.671 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:24:21.719 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 12:24:22.062 CEST 2019: Number of Peaks: (63, 31)
Wed May 08 12:24:22.094 CEST 2019: Elapsed time for evaluation (PP Suite): 0.35 s.
Wed May 08 12:24:22.094 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:24:22.109 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:24:22.125 CEST 2019: Signal-to-Noise ratio: 2737.58 (5.949 ppm)
Wed May 08 12:24:22.125 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:24:22.141 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:24:22.169 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.68 s.
Wed May 08 12:24:22.263 CEST 2019: Number of Multiplets: 154
Wed May 08 12:24:22.280 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.11 s.
Wed May 08 12:24:22.436 CEST 2019: Number of Peak Cluster: 19
Wed May 08 12:24:22.436 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Wed May 08 12:24:22.608 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Wed May 08 12:24:23.155 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.53 s.
Wed May 08 12:24:23.186 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 12:24:23.202 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:24:23.217 CEST 2019: Number of consistent PNS: 5
Wed May 08 12:24:23.233 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:24:23.249 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 12:24:29.163 CEST 2019: Number of ASL: 6
Wed May 08 12:24:29.179 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 5.91 s.
Wed May 08 12:24:30.257 CEST 2019: Elapsed time for evaluation (IN Suite): 1.07 s.
Wed May 08 12:24:30.977 CEST 2019: Elapsed time for evaluation (BU Suite): 0.70 s.
Wed May 08 12:24:31.015 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 12:24:31.015 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Wed May 08 12:24:31.750 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Wed May 08 12:24:31.766 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:24:31.781 CEST 2019: CMC-q finished in 11.56 s.
