Mon May 06 23:17:29.138 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:17:29.138 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\31\pdata\1
Mon May 06 23:17:29.169 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:17:29.185 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:17:29.185 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:17:29.216 CEST 2019: No HSQC data available
Mon May 06 23:17:29.232 CEST 2019: No C13 data available
Mon May 06 23:17:29.263 CEST 2019: No HMBC data available
Mon May 06 23:17:29.263 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:17:29.322 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:17:29.933 CEST 2019: Structure is used: true
Mon May 06 23:17:29.964 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/31/C07.mol
Mon May 06 23:17:29.964 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.64 s.
Mon May 06 23:17:29.995 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:17:29.995 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:17:30.011 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:17:30.027 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:17:30.027 CEST 2019: Spectrum is suppressed.
Mon May 06 23:17:30.042 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:17:30.058 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:17:30.058 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:17:30.074 CEST 2019: Expected impurity: TSP
Mon May 06 23:17:30.089 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:17:30.089 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 23:17:30.105 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 23:17:30.120 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:17:30.120 CEST 2019: RMSD noise: 695.933 (-0.812/-1.312)
Mon May 06 23:17:30.136 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:17:30.152 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:17:30.167 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:17:30.214 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 23:17:30.655 CEST 2019: Number of Peaks: (120, 25)
Mon May 06 23:17:30.670 CEST 2019: Elapsed time for evaluation (PP Suite): 0.45 s.
Mon May 06 23:17:30.686 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:17:30.701 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:17:30.701 CEST 2019: Signal-to-Noise ratio: 1626.64 (1.333 ppm)
Mon May 06 23:17:30.717 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:17:30.733 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:17:30.733 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.76 s.
Mon May 06 23:17:30.905 CEST 2019: Number of Multiplets: 281
Mon May 06 23:17:30.905 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.16 s.
Mon May 06 23:17:31.186 CEST 2019: Number of Peak Cluster: 37
Mon May 06 23:17:31.186 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.27 s.
Mon May 06 23:17:31.326 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Mon May 06 23:17:31.860 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.52 s.
Mon May 06 23:17:31.891 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:17:31.907 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 23:17:31.923 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:17:31.938 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:17:31.969 CEST 2019: Number of consistent PNS: 35
Mon May 06 23:17:31.969 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 06 23:17:32.032 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.05 s.
Mon May 06 23:17:32.048 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:17:35.349 CEST 2019: Elapsed time for evaluation (BU Suite): 3.40 s.
Mon May 06 23:17:35.365 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:17:35.380 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:17:36.130 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 06 23:17:36.146 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:17:36.161 CEST 2019: CMC-q finished in 7.02 s.
