Wed May 08 11:46:16.303 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:46:16.303 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_3\1\pdata\1
Wed May 08 11:46:16.319 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:46:16.335 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:46:16.350 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:46:16.381 CEST 2019: No HSQC data available
Wed May 08 11:46:16.414 CEST 2019: No C13 data available
Wed May 08 11:46:16.445 CEST 2019: No HMBC data available
Wed May 08 11:46:16.461 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:46:16.525 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 11:46:17.057 CEST 2019: Structure is used: true
Wed May 08 11:46:17.088 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_3/1/A03.mol
Wed May 08 11:46:17.104 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.57 s.
Wed May 08 11:46:17.135 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:46:17.135 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:46:17.151 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:46:17.151 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:46:17.166 CEST 2019: Spectrum is suppressed.
Wed May 08 11:46:17.182 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:46:17.182 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:46:17.197 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:46:17.213 CEST 2019: Expected impurity: TSP
Wed May 08 11:46:17.213 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:46:17.230 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 11:46:17.246 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 11:46:17.246 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:46:17.261 CEST 2019: RMSD noise: 673.802 (5.250/4.751)
Wed May 08 11:46:17.261 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:46:17.277 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:46:17.292 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:46:17.355 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:46:17.699 CEST 2019: Number of Peaks: (61, 20)
Wed May 08 11:46:17.699 CEST 2019: Elapsed time for evaluation (PP Suite): 0.34 s.
Wed May 08 11:46:17.714 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:46:17.730 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:46:17.730 CEST 2019: Signal-to-Noise ratio: 1715.39 (3.832 ppm)
Wed May 08 11:46:17.746 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:46:17.761 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:46:17.761 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.65 s.
Wed May 08 11:46:17.839 CEST 2019: Number of Multiplets: 131
Wed May 08 11:46:17.855 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Wed May 08 11:46:17.980 CEST 2019: Number of Peak Cluster: 22
Wed May 08 11:46:17.980 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 11:46:18.105 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Wed May 08 11:46:18.642 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.52 s.
Wed May 08 11:46:18.689 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 11:46:18.704 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 11:46:18.720 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:46:18.720 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:46:18.736 CEST 2019: Number of consistent PNS: 20
Wed May 08 11:46:18.751 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:46:18.767 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:46:18.783 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:46:19.829 CEST 2019: Elapsed time for evaluation (BU Suite): 1.09 s.
Wed May 08 11:46:19.844 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:46:19.860 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:46:20.611 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Wed May 08 11:46:20.611 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:46:20.627 CEST 2019: CMC-q finished in 4.32 s.
