Wed May 08 10:41:25.970 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:41:25.970 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_8\1\pdata\1
Wed May 08 10:41:25.996 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:41:26.012 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:41:26.027 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:41:26.059 CEST 2019: No HSQC data available
Wed May 08 10:41:26.105 CEST 2019: No C13 data available
Wed May 08 10:41:26.137 CEST 2019: No HMBC data available
Wed May 08 10:41:26.152 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 10:41:26.215 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:41:26.795 CEST 2019: Structure is used: true
Wed May 08 10:41:26.827 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_8/1/A08.mol
Wed May 08 10:41:26.844 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.62 s.
Wed May 08 10:41:26.869 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:41:26.885 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:41:26.885 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:41:26.901 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:41:26.901 CEST 2019: Spectrum is suppressed.
Wed May 08 10:41:26.916 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:41:26.932 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:41:26.932 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:41:26.947 CEST 2019: Expected impurity: TSP
Wed May 08 10:41:26.963 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:41:26.979 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 10:41:26.979 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 10:41:26.994 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 10:41:27.010 CEST 2019: RMSD noise: 643.184 (8.886/8.386)
Wed May 08 10:41:27.010 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:41:27.026 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:41:27.041 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:41:27.089 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:41:27.324 CEST 2019: Number of Peaks: (50, 17)
Wed May 08 10:41:27.356 CEST 2019: Elapsed time for evaluation (PP Suite): 0.25 s.
Wed May 08 10:41:27.356 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:41:27.371 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:41:27.371 CEST 2019: Signal-to-Noise ratio: 876.30 (6.894 ppm)
Wed May 08 10:41:27.387 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:41:27.404 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:41:27.404 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Wed May 08 10:41:27.498 CEST 2019: Number of Multiplets: 148
Wed May 08 10:41:27.513 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Wed May 08 10:41:27.624 CEST 2019: Number of Peak Cluster: 12
Wed May 08 10:41:27.624 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 10:41:27.874 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.24 s.
Wed May 08 10:41:28.280 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Wed May 08 10:41:28.296 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 10:41:28.311 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:41:28.327 CEST 2019: Number of consistent PNS: 2
Wed May 08 10:41:28.327 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 10:41:28.358 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 10:41:40.557 CEST 2019: Number of ASL: 402
Wed May 08 10:41:40.573 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 12.21 s.
Wed May 08 10:41:41.762 CEST 2019: Elapsed time for evaluation (IN Suite): 1.18 s.
Wed May 08 10:41:41.793 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:41:42.575 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Wed May 08 10:41:42.575 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:41:42.591 CEST 2019: CMC-q finished in 16.62 s.
