Wed May 08 09:16:34.989 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:16:34.989 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_18\1\pdata\1
Wed May 08 09:16:35.005 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:16:35.020 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:16:35.036 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:16:35.052 CEST 2019: No HSQC data available
Wed May 08 09:16:35.067 CEST 2019: No C13 data available
Wed May 08 09:16:35.083 CEST 2019: No HMBC data available
Wed May 08 09:16:35.098 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:16:35.130 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:16:35.568 CEST 2019: Structure is used: true
Wed May 08 09:16:35.584 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_18/1/42.mol
Wed May 08 09:16:35.600 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Wed May 08 09:16:35.615 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:16:35.615 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:16:35.631 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:16:35.631 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:16:35.646 CEST 2019: Spectrum is suppressed.
Wed May 08 09:16:35.646 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:16:35.662 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:16:35.662 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:16:35.678 CEST 2019: Expected impurity: TSP
Wed May 08 09:16:35.693 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:16:35.693 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 09:16:35.709 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 09:16:35.709 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:16:35.725 CEST 2019: RMSD noise: 672.875 (5.856/5.357)
Wed May 08 09:16:35.725 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:16:35.740 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:16:35.756 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:16:35.787 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:16:36.115 CEST 2019: Number of Peaks: (39, 4)
Wed May 08 09:16:36.146 CEST 2019: Elapsed time for evaluation (PP Suite): 0.35 s.
Wed May 08 09:16:36.146 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:16:36.162 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:16:36.162 CEST 2019: Signal-to-Noise ratio: 409.71 (2.250 ppm)
Wed May 08 09:16:36.178 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:16:36.178 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:16:36.193 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.59 s.
Wed May 08 09:16:36.224 CEST 2019: Number of Multiplets: 56
Wed May 08 09:16:36.224 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:16:36.289 CEST 2019: Number of Peak Cluster: 16
Wed May 08 09:16:36.304 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:16:36.351 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 09:16:36.665 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Wed May 08 09:16:36.680 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:16:36.696 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:16:36.696 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:16:36.712 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:16:36.727 CEST 2019: Number of consistent PNS: 35
Wed May 08 09:16:36.727 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:16:36.743 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:16:36.758 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:16:37.182 CEST 2019: Elapsed time for evaluation (BU Suite): 0.46 s.
Wed May 08 09:16:37.197 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:16:37.197 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:16:37.777 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Wed May 08 09:16:37.777 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:16:37.792 CEST 2019: CMC-q finished in 2.80 s.
