Mon May 06 22:52:37.307 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:52:37.307 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\46\pdata\1
Mon May 06 22:52:37.339 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:52:37.339 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:52:37.354 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:52:37.370 CEST 2019: No HSQC data available
Mon May 06 22:52:37.401 CEST 2019: No C13 data available
Mon May 06 22:52:37.417 CEST 2019: No HMBC data available
Mon May 06 22:52:37.432 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:52:37.487 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:52:38.472 CEST 2019: Structure is used: true
Mon May 06 22:52:38.503 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/46/D10.mol
Mon May 06 22:52:38.519 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.02 s.
Mon May 06 22:52:38.535 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:52:38.550 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:52:38.550 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:52:38.566 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:52:38.574 CEST 2019: Spectrum is suppressed.
Mon May 06 22:52:38.590 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:52:38.590 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:52:38.605 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:52:38.621 CEST 2019: Expected impurity: TSP
Mon May 06 22:52:38.637 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:52:38.637 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 22:52:38.652 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]
Mon May 06 22:52:38.668 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:52:38.668 CEST 2019: RMSD noise: 650.460 (10.704/10.204)
Mon May 06 22:52:38.683 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:52:38.699 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:52:38.699 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:52:38.746 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:52:39.075 CEST 2019: Number of Peaks: (61, 25)
Mon May 06 22:52:39.091 CEST 2019: Elapsed time for evaluation (PP Suite): 0.34 s.
Mon May 06 22:52:39.107 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:52:39.122 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:52:39.122 CEST 2019: Signal-to-Noise ratio: 2011.75 (1.089 ppm)
Mon May 06 22:52:39.138 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:52:39.153 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:52:39.153 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.63 s.
Mon May 06 22:52:39.232 CEST 2019: Number of Multiplets: 125
Mon May 06 22:52:39.247 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon May 06 22:52:39.357 CEST 2019: Number of Peak Cluster: 14
Mon May 06 22:52:39.357 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 06 22:52:39.482 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Mon May 06 22:52:39.997 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.50 s.
Mon May 06 22:52:40.028 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 22:52:40.044 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:52:40.059 CEST 2019: Number of consistent PNS: 4
Mon May 06 22:52:40.075 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:52:40.091 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 22:52:46.070 CEST 2019: Number of ASL: 16
Mon May 06 22:52:46.085 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 5.99 s.
Mon May 06 22:52:46.901 CEST 2019: Elapsed time for evaluation (IN Suite): 0.81 s.
Mon May 06 22:52:46.932 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:52:47.669 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 22:52:47.684 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:52:47.700 CEST 2019: CMC-q finished in 10.39 s.
