Mon May 13 13:27:19.193 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:27:19.203 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_A11\1\pdata\1
Mon May 13 13:27:19.223 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:27:19.235 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:27:19.243 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:27:19.263 CEST 2019: No HSQC data available
Mon May 13 13:27:19.283 CEST 2019: No C13 data available
Mon May 13 13:27:19.293 CEST 2019: No HMBC data available
Mon May 13 13:27:19.303 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:27:19.343 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:27:19.683 CEST 2019: Structure is used: true
Mon May 13 13:27:19.713 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_A11/1/0110705248.mol
Mon May 13 13:27:19.723 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.36 s.
Mon May 13 13:27:19.736 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:27:19.743 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:27:19.753 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:27:19.763 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:27:19.763 CEST 2019: Spectrum is suppressed.
Mon May 13 13:27:19.773 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:27:19.783 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:27:19.793 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:27:19.803 CEST 2019: Expected impurity: TSP
Mon May 13 13:27:19.813 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:27:19.823 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 13 13:27:19.823 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 13 13:27:19.836 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:27:19.843 CEST 2019: RMSD noise: 653.851 (8.886/8.386)
Mon May 13 13:27:19.853 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:27:19.863 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:27:19.873 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:27:19.908 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:27:20.088 CEST 2019: Number of Peaks: (53, 9)
Mon May 13 13:27:20.103 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:27:20.113 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:27:20.123 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:27:20.133 CEST 2019: Signal-to-Noise ratio: 4425.42 (2.083 ppm)
Mon May 13 13:27:20.143 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:27:20.143 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:27:20.153 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:27:20.193 CEST 2019: Number of Multiplets: 92
Mon May 13 13:27:20.193 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:27:20.283 CEST 2019: Number of Peak Cluster: 21
Mon May 13 13:27:20.283 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 13:27:20.383 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 13 13:27:20.683 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Mon May 13 13:27:20.693 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:27:20.703 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:27:20.713 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:27:20.723 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:27:20.733 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:27:24.153 CEST 2019: Number of ASL: 72
Mon May 13 13:27:24.173 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.43 s.
Mon May 13 13:27:24.393 CEST 2019: Elapsed time for evaluation (IN Suite): 0.21 s.
Mon May 13 13:27:24.413 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:27:24.993 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Mon May 13 13:27:25.003 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:27:25.013 CEST 2019: CMC-q finished in 5.82 s.
