Wed May 08 09:14:35.054 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:14:35.070 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_10\1\pdata\1
Wed May 08 09:14:35.085 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:14:35.085 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:14:35.101 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:14:35.118 CEST 2019: No HSQC data available
Wed May 08 09:14:35.134 CEST 2019: No C13 data available
Wed May 08 09:14:35.154 CEST 2019: No HMBC data available
Wed May 08 09:14:35.170 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:14:35.201 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:14:35.918 CEST 2019: Structure is used: true
Wed May 08 09:14:35.934 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_10/1/73.mol
Wed May 08 09:14:35.956 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.73 s.
Wed May 08 09:14:35.956 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:14:35.972 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:14:35.972 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:14:35.987 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:14:35.987 CEST 2019: Spectrum is suppressed.
Wed May 08 09:14:36.003 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:14:36.003 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:14:36.020 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:14:36.036 CEST 2019: Expected impurity: TSP
Wed May 08 09:14:36.036 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:14:36.056 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 09:14:36.056 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 09:14:36.071 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:14:36.071 CEST 2019: RMSD noise: 661.808 (8.886/8.386)
Wed May 08 09:14:36.087 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:14:36.087 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:14:36.103 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:14:36.156 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 09:14:36.372 CEST 2019: Number of Peaks: (53, 27)
Wed May 08 09:14:36.372 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Wed May 08 09:14:36.388 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:14:36.388 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:14:36.403 CEST 2019: Signal-to-Noise ratio: 2151.03 (1.478 ppm)
Wed May 08 09:14:36.403 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:14:36.419 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:14:36.419 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.47 s.
Wed May 08 09:14:36.474 CEST 2019: Number of Multiplets: 117
Wed May 08 09:14:36.474 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:14:36.557 CEST 2019: Number of Peak Cluster: 18
Wed May 08 09:14:36.588 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 09:14:36.635 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Wed May 08 09:14:36.936 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Wed May 08 09:14:36.958 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:14:36.958 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:14:36.973 CEST 2019: Number of consistent PNS: 4
Wed May 08 09:14:36.989 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:14:36.989 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:14:37.359 CEST 2019: Number of ASL: 8
Wed May 08 09:14:37.359 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.36 s.
Wed May 08 09:14:37.882 CEST 2019: Elapsed time for evaluation (IN Suite): 0.52 s.
Wed May 08 09:14:37.913 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:14:37.929 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:14:38.524 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Wed May 08 09:14:38.539 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:14:38.539 CEST 2019: CMC-q finished in 3.48 s.
