Mon May 06 23:22:18.120 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:22:18.135 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\50\pdata\1
Mon May 06 23:22:18.151 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:22:18.167 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:22:18.167 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:22:18.198 CEST 2019: No HSQC data available
Mon May 06 23:22:18.213 CEST 2019: No C13 data available
Mon May 06 23:22:18.229 CEST 2019: No HMBC data available
Mon May 06 23:22:18.245 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:22:18.317 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon May 06 23:22:18.959 CEST 2019: Structure is used: true
Mon May 06 23:22:18.974 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/50/E02.mol
Mon May 06 23:22:18.990 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.67 s.
Mon May 06 23:22:19.006 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:22:19.021 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:22:19.037 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:22:19.037 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:22:19.052 CEST 2019: Spectrum is suppressed.
Mon May 06 23:22:19.052 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:22:19.068 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:22:19.084 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:22:19.099 CEST 2019: Expected impurity: TSP
Mon May 06 23:22:19.099 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:22:19.115 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 23:22:19.131 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 23:22:19.131 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:22:19.146 CEST 2019: RMSD noise: 650.412 (0.403/-0.097)
Mon May 06 23:22:19.146 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:22:19.162 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:22:19.177 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:22:19.224 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:22:19.537 CEST 2019: Number of Peaks: (89, 12)
Mon May 06 23:22:19.537 CEST 2019: Elapsed time for evaluation (PP Suite): 0.31 s.
Mon May 06 23:22:19.552 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:22:19.568 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:22:19.568 CEST 2019: Signal-to-Noise ratio: 4354.44 (1.267 ppm)
Mon May 06 23:22:19.584 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:22:19.599 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:22:19.599 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.60 s.
Mon May 06 23:22:19.677 CEST 2019: Number of Multiplets: 139
Mon May 06 23:22:19.693 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 06 23:22:19.880 CEST 2019: Number of Peak Cluster: 34
Mon May 06 23:22:19.880 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.19 s.
Mon May 06 23:22:19.974 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon May 06 23:22:20.506 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.52 s.
Mon May 06 23:22:20.553 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:22:20.569 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 23:22:20.585 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:22:20.600 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:22:20.616 CEST 2019: Number of consistent PNS: 25
Mon May 06 23:22:20.631 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:22:20.647 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:22:20.647 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:22:23.459 CEST 2019: Elapsed time for evaluation (BU Suite): 2.86 s.
Mon May 06 23:22:23.491 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:22:23.506 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:22:24.257 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 06 23:22:24.257 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:22:24.273 CEST 2019: CMC-q finished in 6.15 s.
