Mon May 13 14:02:44.738 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:02:44.748 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_C07\1\pdata\1
Mon May 13 14:02:44.778 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:02:44.788 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:02:44.808 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:02:44.833 CEST 2019: No HSQC data available
Mon May 13 14:02:44.858 CEST 2019: No C13 data available
Mon May 13 14:02:44.878 CEST 2019: No HMBC data available
Mon May 13 14:02:44.898 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:02:44.949 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Mon May 13 14:02:45.755 CEST 2019: Structure is used: true
Mon May 13 14:02:45.788 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_C07/1/0110706017.mol
Mon May 13 14:02:45.803 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.84 s.
Mon May 13 14:02:45.823 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:02:45.833 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:02:45.838 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:02:45.848 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:02:45.858 CEST 2019: Spectrum is suppressed.
Mon May 13 14:02:45.869 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:02:45.898 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:02:45.908 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:02:45.923 CEST 2019: Expected impurity: TSP
Mon May 13 14:02:45.928 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:02:45.938 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 13 14:02:45.948 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 13 14:02:45.969 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:02:45.978 CEST 2019: RMSD noise: 647.185 (-0.203/-0.703)
Mon May 13 14:02:45.988 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:02:45.998 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:02:46.013 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:02:46.063 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:02:46.508 CEST 2019: Number of Peaks: (91, 10)
Mon May 13 14:02:46.523 CEST 2019: Elapsed time for evaluation (PP Suite): 0.44 s.
Mon May 13 14:02:46.533 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:02:46.538 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:02:46.548 CEST 2019: Signal-to-Noise ratio: 2035.48 (1.024 ppm)
Mon May 13 14:02:46.558 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:02:46.578 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:02:46.588 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.77 s.
Mon May 13 14:02:46.773 CEST 2019: Number of Multiplets: 192
Mon May 13 14:02:46.778 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.18 s.
Mon May 13 14:02:46.991 CEST 2019: Number of Peak Cluster: 22
Mon May 13 14:02:47.028 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.23 s.
Mon May 13 14:02:47.228 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Mon May 13 14:02:47.933 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.69 s.
Mon May 13 14:02:47.979 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.04 s.
Mon May 13 14:02:47.998 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:02:48.018 CEST 2019: Number of consistent PNS: 5
Mon May 13 14:02:48.028 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:02:48.048 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:03:01.249 CEST 2019: Number of ASL: 138
Mon May 13 14:03:01.268 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 13.21 s.
Mon May 13 14:03:02.798 CEST 2019: Elapsed time for evaluation (IN Suite): 1.52 s.
Mon May 13 14:03:04.003 CEST 2019: Elapsed time for evaluation (BU Suite): 1.19 s.
Mon May 13 14:03:04.028 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:03:04.038 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 13 14:03:04.858 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Mon May 13 14:03:04.868 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:03:04.878 CEST 2019: CMC-q finished in 20.14 s.
