Wed May 08 09:33:28.692 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:33:28.692 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_81\1\pdata\1
Wed May 08 09:33:28.723 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:33:28.723 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:33:28.738 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:33:28.761 CEST 2019: No HSQC data available
Wed May 08 09:33:28.776 CEST 2019: No C13 data available
Wed May 08 09:33:28.792 CEST 2019: No HMBC data available
Wed May 08 09:33:28.807 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:33:28.845 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:33:29.277 CEST 2019: Structure is used: true
Wed May 08 09:33:29.293 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_81/1/71.mol
Wed May 08 09:33:29.309 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Wed May 08 09:33:29.324 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:33:29.324 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:33:29.340 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:33:29.346 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:33:29.346 CEST 2019: Spectrum is suppressed.
Wed May 08 09:33:29.362 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:33:29.362 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:33:29.378 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:33:29.393 CEST 2019: Expected impurity: TSP
Wed May 08 09:33:29.393 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:33:29.409 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]
Wed May 08 09:33:29.409 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]
Wed May 08 09:33:29.425 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:33:29.425 CEST 2019: RMSD noise: 671.221 (-0.203/-0.703)
Wed May 08 09:33:29.440 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:33:29.447 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:33:29.447 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:33:29.495 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:33:29.680 CEST 2019: Number of Peaks: (63, 17)
Wed May 08 09:33:29.711 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Wed May 08 09:33:29.711 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:33:29.727 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:33:29.727 CEST 2019: Signal-to-Noise ratio: 202.48 (8.764 ppm)
Wed May 08 09:33:29.747 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:33:29.747 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:33:29.747 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Wed May 08 09:33:29.848 CEST 2019: Number of Multiplets: 198
Wed May 08 09:33:29.848 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Wed May 08 09:33:29.941 CEST 2019: Number of Peak Cluster: 16
Wed May 08 09:33:29.948 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 09:33:30.064 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Wed May 08 09:33:30.364 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Wed May 08 09:33:30.396 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 09:33:30.411 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:33:30.427 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:33:30.427 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:33:30.449 CEST 2019: Number of consistent PNS: 45
Wed May 08 09:33:30.465 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:33:30.496 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.03 s.
Wed May 08 09:33:30.512 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:33:31.400 CEST 2019: Elapsed time for evaluation (BU Suite): 0.97 s.
Wed May 08 09:33:31.431 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:33:31.431 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:33:32.047 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Wed May 08 09:33:32.049 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:33:32.057 CEST 2019: CMC-q finished in 3.37 s.
