Mon May 06 23:26:14.762 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:26:14.777 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\67\pdata\1
Mon May 06 23:26:14.793 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:26:14.809 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:26:14.824 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:26:14.840 CEST 2019: No HSQC data available
Mon May 06 23:26:14.855 CEST 2019: No C13 data available
Mon May 06 23:26:14.887 CEST 2019: No HMBC data available
Mon May 06 23:26:14.887 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:26:14.949 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:26:15.560 CEST 2019: Structure is used: true
Mon May 06 23:26:15.591 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/67/F07.mol
Mon May 06 23:26:15.591 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.64 s.
Mon May 06 23:26:15.622 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:26:15.622 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:26:15.638 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:26:15.638 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:26:15.653 CEST 2019: Spectrum is suppressed.
Mon May 06 23:26:15.669 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:26:15.669 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:26:15.685 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:26:15.700 CEST 2019: Expected impurity: TSP
Mon May 06 23:26:15.700 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:26:15.716 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 23:26:15.716 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 23:26:15.731 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:26:15.747 CEST 2019: RMSD noise: 685.285 (5.856/5.357)
Mon May 06 23:26:15.747 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:26:15.763 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:26:15.778 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:26:15.841 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Mon May 06 23:26:16.153 CEST 2019: Number of Peaks: (83, 13)
Mon May 06 23:26:16.153 CEST 2019: Elapsed time for evaluation (PP Suite): 0.31 s.
Mon May 06 23:26:16.169 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:26:16.185 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:26:16.185 CEST 2019: Signal-to-Noise ratio: 4563.15 (3.728 ppm)
Mon May 06 23:26:16.200 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:26:16.216 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:26:16.216 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.61 s.
Mon May 06 23:26:16.294 CEST 2019: Number of Multiplets: 141
Mon May 06 23:26:16.309 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon May 06 23:26:17.346 CEST 2019: Number of Peak Cluster: 24
Mon May 06 23:26:17.346 CEST 2019: Elapsed time for evaluation (PCG Suite): 1.03 s.
Mon May 06 23:26:17.471 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Mon May 06 23:26:18.084 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.61 s.
Mon May 06 23:26:18.115 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:26:18.131 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 23:26:18.146 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:26:18.162 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:26:18.177 CEST 2019: Number of consistent PNS: 25
Mon May 06 23:26:18.177 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:26:18.193 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:26:18.209 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:26:19.742 CEST 2019: Elapsed time for evaluation (BU Suite): 1.57 s.
Mon May 06 23:26:19.758 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:26:19.774 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:26:20.492 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Mon May 06 23:26:20.508 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:26:20.523 CEST 2019: CMC-q finished in 5.76 s.
