Mon May 06 23:29:53.543 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:29:53.543 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\80\pdata\1
Mon May 06 23:29:53.574 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:29:53.574 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:29:53.589 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:29:53.605 CEST 2019: No HSQC data available
Mon May 06 23:29:53.636 CEST 2019: No C13 data available
Mon May 06 23:29:53.652 CEST 2019: No HMBC data available
Mon May 06 23:29:53.652 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:29:53.712 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:29:54.026 CEST 2019: Structure is used: true
Mon May 06 23:29:54.057 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/80/G08.mol
Mon May 06 23:29:54.057 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.35 s.
Mon May 06 23:29:54.089 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:29:54.089 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:29:54.104 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:29:54.104 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:29:54.120 CEST 2019: Spectrum is suppressed.
Mon May 06 23:29:54.135 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:29:54.135 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:29:54.151 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:29:54.167 CEST 2019: Expected impurity: TSP
Mon May 06 23:29:54.167 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:29:54.182 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 23:29:54.193 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 23:29:54.209 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:29:54.209 CEST 2019: RMSD noise: 683.003 (5.250/4.751)
Mon May 06 23:29:54.224 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:29:54.240 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:29:54.255 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:29:54.287 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:29:54.569 CEST 2019: Number of Peaks: (87, 16)
Mon May 06 23:29:54.569 CEST 2019: Elapsed time for evaluation (PP Suite): 0.28 s.
Mon May 06 23:29:54.585 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:29:54.600 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:29:54.600 CEST 2019: Signal-to-Noise ratio: 158.70 (2.935 ppm)
Mon May 06 23:29:54.616 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:29:54.632 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:29:54.632 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Mon May 06 23:29:54.694 CEST 2019: Number of Multiplets: 160
Mon May 06 23:29:54.710 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 06 23:29:54.866 CEST 2019: Number of Peak Cluster: 39
Mon May 06 23:29:54.882 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Mon May 06 23:29:54.975 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 06 23:29:55.413 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.43 s.
Mon May 06 23:29:55.460 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:29:55.475 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 23:29:55.491 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:29:55.491 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:29:55.553 CEST 2019: Number of consistent PNS: 90
Mon May 06 23:29:55.553 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.05 s.
Mon May 06 23:29:55.585 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:29:55.585 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:29:56.866 CEST 2019: Elapsed time for evaluation (BU Suite): 1.36 s.
Mon May 06 23:29:56.897 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:29:56.897 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:29:57.694 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Mon May 06 23:29:57.725 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:29:57.740 CEST 2019: CMC-q finished in 4.20 s.
