Mon May 06 23:11:30.788 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:11:30.803 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\11\pdata\1
Mon May 06 23:11:30.819 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:11:30.834 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:11:30.850 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:11:30.866 CEST 2019: No HSQC data available
Mon May 06 23:11:30.897 CEST 2019: No C13 data available
Mon May 06 23:11:30.913 CEST 2019: No HMBC data available
Mon May 06 23:11:30.928 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:11:30.982 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:11:31.829 CEST 2019: Structure is used: true
Mon May 06 23:11:31.860 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/11/A11.mol
Mon May 06 23:11:31.860 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.88 s.
Mon May 06 23:11:31.891 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:11:31.891 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:11:31.907 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:11:31.923 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:11:31.923 CEST 2019: Spectrum is suppressed.
Mon May 06 23:11:31.940 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:11:31.955 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:11:31.955 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:11:31.971 CEST 2019: Expected impurity: TSP
Mon May 06 23:11:31.986 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:11:31.986 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 23:11:32.002 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 23:11:32.018 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:11:32.018 CEST 2019: RMSD noise: 676.771 (-0.812/-1.312)
Mon May 06 23:11:32.033 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:11:32.049 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:11:32.065 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:11:32.096 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:11:32.326 CEST 2019: Number of Peaks: (56, 17)
Mon May 06 23:11:32.358 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Mon May 06 23:11:32.373 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:11:32.373 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:11:32.389 CEST 2019: Signal-to-Noise ratio: 831.36 (7.412 ppm)
Mon May 06 23:11:32.389 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:11:32.404 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:11:32.420 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Mon May 06 23:11:32.467 CEST 2019: Number of Multiplets: 117
Mon May 06 23:11:32.483 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 06 23:11:32.592 CEST 2019: Number of Peak Cluster: 23
Mon May 06 23:11:32.608 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 06 23:11:32.670 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 06 23:11:33.050 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Mon May 06 23:11:33.066 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 23:11:33.081 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:11:33.098 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:11:33.114 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:11:33.130 CEST 2019: Number of consistent PNS: 15
Mon May 06 23:11:33.145 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:11:33.161 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:11:33.161 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:11:34.479 CEST 2019: Elapsed time for evaluation (BU Suite): 1.36 s.
Mon May 06 23:11:34.541 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:11:34.541 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:11:35.246 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.73 s.
Mon May 06 23:11:35.261 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:11:35.277 CEST 2019: CMC-q finished in 4.49 s.
