Mon May 06 23:20:39.023 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:20:39.023 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\44\pdata\1
Mon May 06 23:20:39.039 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:20:39.054 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:20:39.070 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:20:39.086 CEST 2019: No HSQC data available
Mon May 06 23:20:39.117 CEST 2019: No C13 data available
Mon May 06 23:20:39.133 CEST 2019: No HMBC data available
Mon May 06 23:20:39.148 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:20:39.195 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:20:39.618 CEST 2019: Structure is used: true
Mon May 06 23:20:39.649 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/44/D08.mol
Mon May 06 23:20:39.649 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Mon May 06 23:20:39.681 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:20:39.681 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:20:39.696 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:20:39.696 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:20:39.712 CEST 2019: Spectrum is suppressed.
Mon May 06 23:20:39.727 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:20:39.727 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:20:39.743 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:20:39.759 CEST 2019: Expected impurity: TSP
Mon May 06 23:20:39.774 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:20:39.774 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 23:20:39.790 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 23:20:39.806 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:20:39.806 CEST 2019: RMSD noise: 653.214 (9.492/8.992)
Mon May 06 23:20:39.821 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:20:39.837 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:20:39.837 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:20:39.884 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:20:40.040 CEST 2019: Number of Peaks: (26, 15)
Mon May 06 23:20:40.056 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Mon May 06 23:20:40.056 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:20:40.071 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:20:40.071 CEST 2019: Signal-to-Noise ratio: 345.43 (7.242 ppm)
Mon May 06 23:20:40.087 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:20:40.105 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:20:40.106 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Mon May 06 23:20:40.137 CEST 2019: Number of Multiplets: 53
Mon May 06 23:20:40.137 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 06 23:20:40.215 CEST 2019: Number of Peak Cluster: 12
Mon May 06 23:20:40.215 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 06 23:20:40.262 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 06 23:20:40.623 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Mon May 06 23:20:40.654 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:20:40.670 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:20:40.685 CEST 2019: Number of consistent PNS: 2
Mon May 06 23:20:40.701 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:20:40.716 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:20:40.732 CEST 2019: Number of ASL: 12
Mon May 06 23:20:40.748 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon May 06 23:20:40.810 CEST 2019: Elapsed time for evaluation (IN Suite): 0.06 s.
Mon May 06 23:20:40.841 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:20:40.857 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:20:40.857 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:20:41.591 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 06 23:20:41.607 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:20:41.607 CEST 2019: CMC-q finished in 2.58 s.
