Wed May 08 09:29:12.503 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:29:12.519 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_67\1\pdata\1
Wed May 08 09:29:12.534 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:29:12.534 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:29:12.550 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:29:12.565 CEST 2019: No HSQC data available
Wed May 08 09:29:12.597 CEST 2019: No C13 data available
Wed May 08 09:29:12.612 CEST 2019: No HMBC data available
Wed May 08 09:29:12.612 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:29:12.675 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:29:13.129 CEST 2019: Structure is used: true
Wed May 08 09:29:13.145 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_67/1/54.mol
Wed May 08 09:29:13.145 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.46 s.
Wed May 08 09:29:13.160 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:29:13.176 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:29:13.176 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:29:13.192 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:29:13.192 CEST 2019: Spectrum is suppressed.
Wed May 08 09:29:13.207 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:29:13.207 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:29:13.223 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:29:13.239 CEST 2019: Expected impurity: TSP
Wed May 08 09:29:13.239 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:29:13.254 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 09:29:13.254 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 09:29:13.270 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:29:13.270 CEST 2019: RMSD noise: 661.739 (-0.812/-1.312)
Wed May 08 09:29:13.285 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:29:13.285 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:29:13.301 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:29:13.332 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:29:13.489 CEST 2019: Number of Peaks: (39, 27)
Wed May 08 09:29:13.504 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Wed May 08 09:29:13.504 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:29:13.520 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:29:13.520 CEST 2019: Signal-to-Noise ratio: 969.54 (6.761 ppm)
Wed May 08 09:29:13.535 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:29:13.535 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:29:13.552 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Wed May 08 09:29:13.584 CEST 2019: Number of Multiplets: 76
Wed May 08 09:29:13.584 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:29:13.646 CEST 2019: Number of Peak Cluster: 15
Wed May 08 09:29:13.646 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:29:13.693 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 09:29:13.976 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Wed May 08 09:29:13.991 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:29:14.007 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:29:14.022 CEST 2019: Number of consistent PNS: 6
Wed May 08 09:29:14.038 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:29:14.038 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:29:16.918 CEST 2019: Number of ASL: 21
Wed May 08 09:29:16.934 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 2.88 s.
Wed May 08 09:29:17.262 CEST 2019: Elapsed time for evaluation (IN Suite): 0.32 s.
Wed May 08 09:29:17.293 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:29:17.293 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:29:17.902 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Wed May 08 09:29:17.902 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:29:17.918 CEST 2019: CMC-q finished in 5.42 s.
