Wed May 08 10:40:39.951 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:40:39.966 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_5\1\pdata\1
Wed May 08 10:40:39.998 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:40:39.998 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:40:40.013 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:40:40.044 CEST 2019: No HSQC data available
Wed May 08 10:40:40.091 CEST 2019: No C13 data available
Wed May 08 10:40:40.140 CEST 2019: No HMBC data available
Wed May 08 10:40:40.155 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:40:40.205 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:40:40.503 CEST 2019: Structure is used: true
Wed May 08 10:40:40.519 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_5/1/A05.mol
Wed May 08 10:40:40.534 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.31 s.
Wed May 08 10:40:40.556 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:40:40.571 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:40:40.571 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:40:40.587 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:40:40.587 CEST 2019: Spectrum is suppressed.
Wed May 08 10:40:40.602 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:40:40.618 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:40:40.618 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:40:40.634 CEST 2019: Expected impurity: TSP
Wed May 08 10:40:40.649 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:40:40.649 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 10:40:40.665 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 10:40:40.665 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:40:40.681 CEST 2019: RMSD noise: 674.777 (0.403/-0.097)
Wed May 08 10:40:40.696 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:40:40.696 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:40:40.712 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:40:40.760 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:40:40.932 CEST 2019: Number of Peaks: (39, 9)
Wed May 08 10:40:40.947 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 10:40:40.963 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:40:40.963 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:40:40.979 CEST 2019: Signal-to-Noise ratio: 1803.47 (1.136 ppm)
Wed May 08 10:40:40.994 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:40:40.994 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:40:41.010 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.47 s.
Wed May 08 10:40:41.043 CEST 2019: Number of Multiplets: 66
Wed May 08 10:40:41.058 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 10:40:41.136 CEST 2019: Number of Peak Cluster: 12
Wed May 08 10:40:41.136 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 10:40:41.199 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 10:40:41.592 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Wed May 08 10:40:41.655 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 10:40:41.670 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:40:41.670 CEST 2019: Number of consistent PNS: 1
Wed May 08 10:40:41.686 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 10:40:41.702 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:40:41.717 CEST 2019: Number of ASL: 4
Wed May 08 10:40:41.733 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Wed May 08 10:40:41.765 CEST 2019: Elapsed time for evaluation (IN Suite): 0.02 s.
Wed May 08 10:40:41.790 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:40:41.790 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:40:41.806 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:40:42.622 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Wed May 08 10:40:42.638 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:40:42.638 CEST 2019: CMC-q finished in 2.69 s.
