Wed May 08 16:07:48.622 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:07:48.638 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_B12\1\pdata\1
Wed May 08 16:07:48.653 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:07:48.669 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:07:48.684 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:07:48.716 CEST 2019: No HSQC data available
Wed May 08 16:07:48.762 CEST 2019: No C13 data available
Wed May 08 16:07:48.795 CEST 2019: No HMBC data available
Wed May 08 16:07:48.811 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 16:07:48.873 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:07:49.562 CEST 2019: Structure is used: true
Wed May 08 16:07:49.593 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_B12/1/B12.mol
Wed May 08 16:07:49.608 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.72 s.
Wed May 08 16:07:49.624 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:07:49.640 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:07:49.640 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:07:49.655 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:07:49.671 CEST 2019: Spectrum is suppressed.
Wed May 08 16:07:49.671 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:07:49.686 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:07:49.702 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:07:49.702 CEST 2019: Expected impurity: TSP
Wed May 08 16:07:49.718 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:07:49.733 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 16:07:49.733 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 16:07:49.749 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 16:07:49.765 CEST 2019: RMSD noise: 617.870 (5.250/4.751)
Wed May 08 16:07:49.765 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:07:49.780 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:07:49.796 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:07:49.843 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:07:50.016 CEST 2019: Number of Peaks: (26, 13)
Wed May 08 16:07:50.032 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 16:07:50.047 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:07:50.047 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:07:50.063 CEST 2019: Signal-to-Noise ratio: 756.74 (7.773 ppm)
Wed May 08 16:07:50.079 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:07:50.079 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:07:50.094 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.48 s.
Wed May 08 16:07:50.127 CEST 2019: Number of Multiplets: 76
Wed May 08 16:07:50.142 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 16:07:50.189 CEST 2019: Number of Peak Cluster: 9
Wed May 08 16:07:50.205 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 16:07:50.236 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Wed May 08 16:07:50.614 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Wed May 08 16:07:50.629 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:07:50.645 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:07:50.661 CEST 2019: Number of consistent PNS: 0
Wed May 08 16:07:50.676 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:07:50.692 CEST 2019: Number of consistent PNS: 15
Wed May 08 16:07:50.692 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:07:50.723 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 16:07:50.739 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:07:51.160 CEST 2019: Elapsed time for evaluation (BU Suite): 0.48 s.
Wed May 08 16:07:51.192 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 16:07:51.207 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 16:07:51.931 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Wed May 08 16:07:51.947 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:07:51.978 CEST 2019: CMC-q finished in 3.36 s.
