Wed May 08 12:05:37.716 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:05:37.716 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_47\1\pdata\1
Wed May 08 12:05:37.747 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:05:37.762 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:05:37.762 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:05:37.809 CEST 2019: No HSQC data available
Wed May 08 12:05:37.842 CEST 2019: No C13 data available
Wed May 08 12:05:37.873 CEST 2019: No HMBC data available
Wed May 08 12:05:37.889 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:05:37.965 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 12:05:38.467 CEST 2019: Structure is used: true
Wed May 08 12:05:38.498 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_47/1/D11.mol
Wed May 08 12:05:38.513 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.54 s.
Wed May 08 12:05:38.554 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:05:38.570 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:05:38.570 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:05:38.585 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:05:38.601 CEST 2019: Spectrum is suppressed.
Wed May 08 12:05:38.601 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:05:38.617 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:05:38.632 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:05:38.648 CEST 2019: Expected impurity: TSP
Wed May 08 12:05:38.648 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:05:38.665 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 12:05:38.665 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 12:05:38.690 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 12:05:38.696 CEST 2019: RMSD noise: 651.046 (10.704/10.204)
Wed May 08 12:05:38.696 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:05:38.712 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:05:38.727 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:05:38.774 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 12:05:39.057 CEST 2019: Number of Peaks: (53, 6)
Wed May 08 12:05:39.072 CEST 2019: Elapsed time for evaluation (PP Suite): 0.29 s.
Wed May 08 12:05:39.088 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:05:39.104 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:05:39.104 CEST 2019: Signal-to-Noise ratio: 2863.10 (2.121 ppm)
Wed May 08 12:05:39.119 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:05:39.135 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:05:39.135 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.62 s.
Wed May 08 12:05:39.197 CEST 2019: Number of Multiplets: 102
Wed May 08 12:05:39.197 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 12:05:39.307 CEST 2019: Number of Peak Cluster: 18
Wed May 08 12:05:39.322 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 12:05:39.432 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Wed May 08 12:05:39.932 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.48 s.
Wed May 08 12:05:39.947 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 12:05:39.963 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:05:39.978 CEST 2019: Number of consistent PNS: 3
Wed May 08 12:05:40.010 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 12:05:40.025 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 12:05:40.119 CEST 2019: Number of ASL: 19
Wed May 08 12:05:40.134 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.11 s.
Wed May 08 12:05:40.370 CEST 2019: Elapsed time for evaluation (IN Suite): 0.22 s.
Wed May 08 12:05:40.403 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:05:40.403 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 12:05:41.139 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Wed May 08 12:05:41.155 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:05:41.155 CEST 2019: CMC-q finished in 3.44 s.
