Mon May 06 23:11:56.046 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:11:56.062 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\13\pdata\1
Mon May 06 23:11:56.078 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:11:56.093 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:11:56.093 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:11:56.126 CEST 2019: No HSQC data available
Mon May 06 23:11:56.141 CEST 2019: No C13 data available
Mon May 06 23:11:56.157 CEST 2019: No HMBC data available
Mon May 06 23:11:56.173 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:11:56.227 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:11:56.978 CEST 2019: Structure is used: true
Mon May 06 23:11:57.009 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/13/B01.mol
Mon May 06 23:11:57.025 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.80 s.
Mon May 06 23:11:57.041 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:11:57.056 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:11:57.072 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:11:57.072 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:11:57.088 CEST 2019: Spectrum is suppressed.
Mon May 06 23:11:57.088 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:11:57.103 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:11:57.119 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:11:57.134 CEST 2019: Expected impurity: TSP
Mon May 06 23:11:57.134 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:11:57.150 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 23:11:57.150 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 23:11:57.166 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:11:57.181 CEST 2019: RMSD noise: 698.241 (7.068/6.569)
Mon May 06 23:11:57.181 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:11:57.197 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:11:57.213 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:11:57.259 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:11:57.681 CEST 2019: Number of Peaks: (98, 28)
Mon May 06 23:11:57.712 CEST 2019: Elapsed time for evaluation (PP Suite): 0.45 s.
Mon May 06 23:11:57.712 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:11:57.728 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:11:57.744 CEST 2019: Signal-to-Noise ratio: 319.67 (7.370 ppm)
Mon May 06 23:11:57.744 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:11:57.759 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:11:57.775 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.73 s.
Mon May 06 23:11:57.962 CEST 2019: Number of Multiplets: 239
Mon May 06 23:11:57.962 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.19 s.
Mon May 06 23:11:58.681 CEST 2019: Number of Peak Cluster: 22
Mon May 06 23:11:58.681 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.71 s.
Mon May 06 23:11:58.853 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 06 23:11:59.715 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.85 s.
Mon May 06 23:11:59.762 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon May 06 23:11:59.777 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 23:11:59.793 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:11:59.809 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:11:59.855 CEST 2019: Number of consistent PNS: 50
Mon May 06 23:11:59.855 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Mon May 06 23:11:59.933 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.06 s.
Mon May 06 23:11:59.933 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:12:02.183 CEST 2019: Elapsed time for evaluation (BU Suite): 2.36 s.
Mon May 06 23:12:02.230 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:12:02.230 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:12:03.011 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Mon May 06 23:12:03.026 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:12:03.042 CEST 2019: CMC-q finished in 7.00 s.
