Mon May 06 23:17:56.144 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:17:56.160 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\33\pdata\1
Mon May 06 23:17:56.175 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:17:56.191 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:17:56.207 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:17:56.238 CEST 2019: No HSQC data available
Mon May 06 23:17:56.254 CEST 2019: No C13 data available
Mon May 06 23:17:56.285 CEST 2019: No HMBC data available
Mon May 06 23:17:56.285 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:17:56.346 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Mon May 06 23:17:56.706 CEST 2019: Structure is used: true
Mon May 06 23:17:56.738 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/33/C09.mol
Mon May 06 23:17:56.738 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.39 s.
Mon May 06 23:17:56.753 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:17:56.769 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:17:56.784 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:17:56.784 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:17:56.800 CEST 2019: Spectrum is suppressed.
Mon May 06 23:17:56.816 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:17:56.816 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:17:56.831 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:17:56.847 CEST 2019: Expected impurity: TSP
Mon May 06 23:17:56.862 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:17:56.862 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 23:17:56.878 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 23:17:56.894 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:17:56.894 CEST 2019: RMSD noise: 698.477 (10.098/9.598)
Mon May 06 23:17:56.909 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:17:56.925 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:17:56.941 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:17:56.987 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:17:57.317 CEST 2019: Number of Peaks: (80, 38)
Mon May 06 23:17:57.333 CEST 2019: Elapsed time for evaluation (PP Suite): 0.34 s.
Mon May 06 23:17:57.333 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:17:57.348 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:17:57.365 CEST 2019: Signal-to-Noise ratio: 429.04 (3.430 ppm)
Mon May 06 23:17:57.365 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:17:57.381 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:17:57.397 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.64 s.
Mon May 06 23:17:57.475 CEST 2019: Number of Multiplets: 171
Mon May 06 23:17:57.490 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Mon May 06 23:17:57.615 CEST 2019: Number of Peak Cluster: 21
Mon May 06 23:17:57.631 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.13 s.
Mon May 06 23:17:57.693 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 06 23:17:58.224 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.52 s.
Mon May 06 23:17:58.303 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.05 s.
Mon May 06 23:17:58.318 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:17:58.343 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:17:58.343 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:17:58.374 CEST 2019: Number of consistent PNS: 40
Mon May 06 23:17:58.389 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 06 23:17:58.421 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 06 23:17:58.421 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:18:00.174 CEST 2019: Elapsed time for evaluation (BU Suite): 1.82 s.
Mon May 06 23:18:00.205 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:18:00.205 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:18:00.967 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Mon May 06 23:18:00.982 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:18:00.998 CEST 2019: CMC-q finished in 4.85 s.
