Wed May 08 16:29:34.781 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:29:34.797 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_H08\1\pdata\1
Wed May 08 16:29:34.813 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:29:34.828 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:29:34.828 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:29:34.875 CEST 2019: No HSQC data available
Wed May 08 16:29:34.906 CEST 2019: No C13 data available
Wed May 08 16:29:34.938 CEST 2019: No HMBC data available
Wed May 08 16:29:34.953 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:29:35.003 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 16:29:35.520 CEST 2019: Structure is used: true
Wed May 08 16:29:35.536 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_H08/1/H08.mol
Wed May 08 16:29:35.536 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.54 s.
Wed May 08 16:29:35.567 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:29:35.567 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:29:35.583 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:29:35.583 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:29:35.598 CEST 2019: Spectrum is suppressed.
Wed May 08 16:29:35.598 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 16:29:35.614 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:29:35.614 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:29:35.630 CEST 2019: Expected impurity: TSP
Wed May 08 16:29:35.630 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:29:35.645 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 16:29:35.652 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 16:29:35.652 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:29:35.668 CEST 2019: RMSD noise: 702.055 (0.403/-0.097)
Wed May 08 16:29:35.668 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:29:35.683 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:29:35.699 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:29:35.730 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 16:29:36.014 CEST 2019: Number of Peaks: (108, 14)
Wed May 08 16:29:36.030 CEST 2019: Elapsed time for evaluation (PP Suite): 0.29 s.
Wed May 08 16:29:36.030 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:29:36.046 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:29:36.046 CEST 2019: Signal-to-Noise ratio: 650.74 (3.205 ppm)
Wed May 08 16:29:36.061 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:29:36.061 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:29:36.077 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Wed May 08 16:29:36.172 CEST 2019: Number of Multiplets: 214
Wed May 08 16:29:36.187 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.10 s.
Wed May 08 16:29:36.312 CEST 2019: Number of Peak Cluster: 28
Wed May 08 16:29:36.328 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.13 s.
Wed May 08 16:29:36.422 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Wed May 08 16:29:36.845 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Wed May 08 16:29:36.861 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:29:36.877 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:29:36.893 CEST 2019: Number of consistent PNS: 3
Wed May 08 16:29:36.893 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:29:36.909 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:29:37.065 CEST 2019: Number of ASL: 24
Wed May 08 16:29:37.081 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.15 s.
Wed May 08 16:29:38.021 CEST 2019: Elapsed time for evaluation (IN Suite): 0.94 s.
Wed May 08 16:29:38.036 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:29:38.052 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:29:38.645 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Wed May 08 16:29:38.663 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:29:38.678 CEST 2019: CMC-q finished in 3.90 s.
