Mon May 06 22:55:01.179 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:55:01.179 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\53\pdata\1
Mon May 06 22:55:01.210 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:55:01.210 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:55:01.226 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:55:01.242 CEST 2019: No HSQC data available
Mon May 06 22:55:01.273 CEST 2019: No C13 data available
Mon May 06 22:55:01.304 CEST 2019: No HMBC data available
Mon May 06 22:55:01.320 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:55:01.373 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:55:01.937 CEST 2019: Structure is used: true
Mon May 06 22:55:01.953 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/53/E05.mol
Mon May 06 22:55:01.968 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.58 s.
Mon May 06 22:55:01.984 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:55:01.984 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:55:02.000 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:55:02.015 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:55:02.015 CEST 2019: Spectrum is suppressed.
Mon May 06 22:55:02.031 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:55:02.047 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:55:02.047 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:55:02.062 CEST 2019: Expected impurity: TSP
Mon May 06 22:55:02.078 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:55:02.093 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 22:55:02.093 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 22:55:02.109 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:55:02.125 CEST 2019: RMSD noise: 679.993 (-0.203/-0.703)
Mon May 06 22:55:02.125 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:55:02.140 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:55:02.171 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon May 06 22:55:02.234 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 22:55:02.656 CEST 2019: Number of Peaks: (106, 40)
Mon May 06 22:55:02.671 CEST 2019: Elapsed time for evaluation (PP Suite): 0.43 s.
Mon May 06 22:55:02.687 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:55:02.687 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:55:02.703 CEST 2019: Signal-to-Noise ratio: 1225.66 (1.259 ppm)
Mon May 06 22:55:02.718 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:55:02.718 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:55:02.734 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.76 s.
Mon May 06 22:55:02.987 CEST 2019: Number of Multiplets: 255
Mon May 06 22:55:02.987 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.25 s.
Mon May 06 22:55:03.660 CEST 2019: Number of Peak Cluster: 16
Mon May 06 22:55:03.660 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.66 s.
Mon May 06 22:55:03.800 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Mon May 06 22:55:04.833 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 1.03 s.
Mon May 06 22:55:04.880 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 22:55:04.895 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:55:04.911 CEST 2019: Number of consistent PNS: 0
Mon May 06 22:55:04.911 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:55:04.942 CEST 2019: Number of consistent PNS: 35
Mon May 06 22:55:04.958 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 06 22:55:05.083 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.12 s.
Mon May 06 22:55:05.098 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:55:07.098 CEST 2019: Elapsed time for evaluation (BU Suite): 2.17 s.
Mon May 06 22:55:07.129 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 22:55:07.145 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 22:55:07.912 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Mon May 06 22:55:07.927 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:55:07.943 CEST 2019: CMC-q finished in 6.76 s.
