Wed May 08 16:14:48.624 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:14:48.640 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_D11\1\pdata\1
Wed May 08 16:14:48.655 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:14:48.671 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:14:48.687 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:14:48.718 CEST 2019: No HSQC data available
Wed May 08 16:14:48.765 CEST 2019: No C13 data available
Wed May 08 16:14:48.797 CEST 2019: No HMBC data available
Wed May 08 16:14:48.813 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:14:48.869 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:14:49.777 CEST 2019: Structure is used: true
Wed May 08 16:14:49.809 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_D11/1/D11.mol
Wed May 08 16:14:49.809 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.94 s.
Wed May 08 16:14:49.840 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:14:49.840 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:14:49.856 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:14:49.872 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:14:49.872 CEST 2019: Spectrum is suppressed.
Wed May 08 16:14:49.887 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:14:49.887 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:14:49.903 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:14:49.919 CEST 2019: Expected impurity: TSP
Wed May 08 16:14:49.934 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:14:49.934 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]
Wed May 08 16:14:49.950 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]
Wed May 08 16:14:49.950 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:14:49.965 CEST 2019: RMSD noise: 681.259 (-0.812/-1.312)
Wed May 08 16:14:49.981 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:14:49.981 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:14:50.014 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Wed May 08 16:14:50.060 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:14:50.248 CEST 2019: Number of Peaks: (49, 19)
Wed May 08 16:14:50.264 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 16:14:50.264 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:14:50.279 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:14:50.295 CEST 2019: Signal-to-Noise ratio: 1050.02 (7.199 ppm)
Wed May 08 16:14:50.295 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:14:50.310 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:14:50.310 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.49 s.
Wed May 08 16:14:50.373 CEST 2019: Number of Multiplets: 126
Wed May 08 16:14:50.389 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 16:14:50.468 CEST 2019: Number of Peak Cluster: 12
Wed May 08 16:14:50.484 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 16:14:50.688 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.20 s.
Wed May 08 16:14:51.047 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Wed May 08 16:14:51.063 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:14:51.079 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:14:51.094 CEST 2019: Number of consistent PNS: 0
Wed May 08 16:14:51.110 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:14:51.125 CEST 2019: Number of consistent PNS: 15
Wed May 08 16:14:51.125 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:14:51.157 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:14:51.173 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:14:52.034 CEST 2019: Elapsed time for evaluation (BU Suite): 0.92 s.
Wed May 08 16:14:52.065 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 16:14:52.065 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 16:14:52.930 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.88 s.
Wed May 08 16:14:52.946 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:14:52.961 CEST 2019: CMC-q finished in 4.34 s.
