Mon May 06 23:10:17.978 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:10:17.994 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\7\pdata\1
Mon May 06 23:10:18.009 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:10:18.025 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:10:18.025 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:10:18.056 CEST 2019: No HSQC data available
Mon May 06 23:10:18.072 CEST 2019: No C13 data available
Mon May 06 23:10:18.087 CEST 2019: No HMBC data available
Mon May 06 23:10:18.103 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:10:18.175 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon May 06 23:10:18.817 CEST 2019: Structure is used: true
Mon May 06 23:10:18.832 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/7/A07.mol
Mon May 06 23:10:18.832 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.63 s.
Mon May 06 23:10:18.848 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:10:18.864 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:10:18.879 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:10:18.879 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:10:18.895 CEST 2019: Spectrum is suppressed.
Mon May 06 23:10:18.911 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:10:18.911 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:10:18.926 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:10:18.943 CEST 2019: Expected impurity: TSP
Mon May 06 23:10:18.943 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:10:18.959 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 23:10:18.974 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 23:10:18.974 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:10:18.990 CEST 2019: RMSD noise: 726.666 (0.403/-0.097)
Mon May 06 23:10:19.006 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:10:19.021 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:10:19.021 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:10:19.084 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 23:10:19.537 CEST 2019: Number of Peaks: (98, 22)
Mon May 06 23:10:19.568 CEST 2019: Elapsed time for evaluation (PP Suite): 0.47 s.
Mon May 06 23:10:19.568 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:10:19.584 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:10:19.584 CEST 2019: Signal-to-Noise ratio: 453.39 (0.896 ppm)
Mon May 06 23:10:19.599 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:10:19.615 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:10:19.615 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.78 s.
Mon May 06 23:10:19.912 CEST 2019: Number of Multiplets: 309
Mon May 06 23:10:19.912 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.29 s.
Mon May 06 23:10:20.115 CEST 2019: Number of Peak Cluster: 16
Mon May 06 23:10:20.115 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.20 s.
Mon May 06 23:10:20.599 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.47 s.
Mon May 06 23:10:21.364 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.74 s.
Mon May 06 23:10:21.427 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.05 s.
Mon May 06 23:10:21.443 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:10:21.474 CEST 2019: Number of consistent PNS: 6
Mon May 06 23:10:21.489 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 06 23:10:21.505 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:10:41.871 CEST 2019: Number of ASL: 201
Mon May 06 23:10:41.886 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 20.37 s.
Mon May 06 23:10:46.169 CEST 2019: Elapsed time for evaluation (IN Suite): 4.27 s.
Mon May 06 23:10:46.200 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:10:46.887 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.72 s.
Mon May 06 23:10:46.903 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:10:46.918 CEST 2019: CMC-q finished in 28.94 s.
