Mon May 06 23:19:30.978 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:19:30.993 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\39\pdata\1
Mon May 06 23:19:31.009 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:19:31.025 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:19:31.040 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:19:31.056 CEST 2019: No HSQC data available
Mon May 06 23:19:31.087 CEST 2019: No C13 data available
Mon May 06 23:19:31.103 CEST 2019: No HMBC data available
Mon May 06 23:19:31.118 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:19:31.173 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:19:31.660 CEST 2019: Structure is used: true
Mon May 06 23:19:31.692 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/39/D03.mol
Mon May 06 23:19:31.707 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.53 s.
Mon May 06 23:19:31.723 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:19:31.739 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:19:31.739 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:19:31.754 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:19:31.770 CEST 2019: Spectrum is suppressed.
Mon May 06 23:19:31.770 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:19:31.785 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:19:31.801 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:19:31.817 CEST 2019: Expected impurity: TSP
Mon May 06 23:19:31.818 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:19:31.834 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 23:19:31.834 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 23:19:31.849 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:19:31.865 CEST 2019: RMSD noise: 724.040 (5.856/5.357)
Mon May 06 23:19:31.865 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:19:31.880 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:19:31.896 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:19:31.943 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Mon May 06 23:19:32.099 CEST 2019: Number of Peaks: (21, 9)
Mon May 06 23:19:32.115 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Mon May 06 23:19:32.130 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:19:32.130 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:19:32.146 CEST 2019: Signal-to-Noise ratio: 415.11 (1.318 ppm)
Mon May 06 23:19:32.162 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:19:32.162 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:19:32.177 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Mon May 06 23:19:32.193 CEST 2019: Number of Multiplets: 36
Mon May 06 23:19:32.209 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 06 23:19:32.271 CEST 2019: Number of Peak Cluster: 9
Mon May 06 23:19:32.271 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 06 23:19:32.318 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 06 23:19:32.680 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Mon May 06 23:19:32.711 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:19:32.727 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:19:32.743 CEST 2019: Number of consistent PNS: 4
Mon May 06 23:19:32.758 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:19:32.774 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:19:32.789 CEST 2019: Number of ASL: 6
Mon May 06 23:19:32.805 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon May 06 23:19:32.994 CEST 2019: Elapsed time for evaluation (IN Suite): 0.18 s.
Mon May 06 23:19:33.010 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:19:33.025 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:19:33.761 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Mon May 06 23:19:33.761 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:19:33.776 CEST 2019: CMC-q finished in 2.80 s.
