Mon May 06 23:15:59.919 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:15:59.919 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\27\pdata\1
Mon May 06 23:15:59.950 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:15:59.965 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:15:59.965 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:15:59.997 CEST 2019: No HSQC data available
Mon May 06 23:16:00.012 CEST 2019: No C13 data available
Mon May 06 23:16:00.044 CEST 2019: No HMBC data available
Mon May 06 23:16:00.044 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:16:00.102 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:16:01.072 CEST 2019: Structure is used: true
Mon May 06 23:16:01.103 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/27/C03.mol
Mon May 06 23:16:01.103 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.00 s.
Mon May 06 23:16:01.119 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:16:01.135 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:16:01.150 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:16:01.150 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:16:01.166 CEST 2019: Spectrum is suppressed.
Mon May 06 23:16:01.166 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:16:01.181 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:16:01.197 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:16:01.213 CEST 2019: Expected impurity: TSP
Mon May 06 23:16:01.213 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:16:01.230 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]
Mon May 06 23:16:01.230 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]
Mon May 06 23:16:01.246 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:16:01.261 CEST 2019: RMSD noise: 670.775 (0.403/-0.097)
Mon May 06 23:16:01.261 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:16:01.277 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:16:01.292 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:16:01.339 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:16:01.903 CEST 2019: Number of Peaks: (90, 46)
Mon May 06 23:16:01.919 CEST 2019: Elapsed time for evaluation (PP Suite): 0.58 s.
Mon May 06 23:16:01.934 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:16:01.934 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:16:01.950 CEST 2019: Signal-to-Noise ratio: 696.85 (7.200 ppm)
Mon May 06 23:16:01.966 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:16:01.981 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:16:01.981 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.87 s.
Mon May 06 23:16:03.031 CEST 2019: Number of Multiplets: 380
Mon May 06 23:16:03.062 CEST 2019: Elapsed time for evaluation (MMG Suite): 1.06 s.
Mon May 06 23:16:03.343 CEST 2019: Number of Peak Cluster: 16
Mon May 06 23:16:03.359 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.29 s.
Mon May 06 23:16:03.640 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.28 s.
Mon May 06 23:16:04.721 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 1.06 s.
Mon May 06 23:16:04.736 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:16:04.752 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:16:04.783 CEST 2019: Number of consistent PNS: 6
Mon May 06 23:16:04.799 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Mon May 06 23:16:04.986 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.17 s.
Mon May 06 23:16:19.273 CEST 2019: Number of ASL: 201
Mon May 06 23:16:19.288 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 14.29 s.
Mon May 06 23:16:25.414 CEST 2019: Elapsed time for evaluation (IN Suite): 6.11 s.
Mon May 06 23:16:25.445 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:16:26.242 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Mon May 06 23:16:26.242 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:16:26.257 CEST 2019: CMC-q finished in 26.34 s.
