Wed May 08 11:45:58.816 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:45:58.832 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_2\1\pdata\1
Wed May 08 11:45:58.854 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:45:58.870 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:45:58.871 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:45:58.933 CEST 2019: No HSQC data available
Wed May 08 11:45:58.969 CEST 2019: No C13 data available
Wed May 08 11:45:59.039 CEST 2019: No HMBC data available
Wed May 08 11:45:59.039 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:45:59.101 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:45:59.632 CEST 2019: Structure is used: true
Wed May 08 11:45:59.655 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_2/1/A02.mol
Wed May 08 11:45:59.670 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.56 s.
Wed May 08 11:45:59.708 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:45:59.723 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:45:59.723 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:45:59.739 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:45:59.739 CEST 2019: Spectrum is suppressed.
Wed May 08 11:45:59.754 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:45:59.770 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:45:59.770 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:45:59.786 CEST 2019: Expected impurity: TSP
Wed May 08 11:45:59.801 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:45:59.801 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 11:45:59.818 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 11:45:59.834 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:45:59.834 CEST 2019: RMSD noise: 699.094 (5.856/5.357)
Wed May 08 11:45:59.849 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:45:59.865 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:45:59.875 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:45:59.917 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:46:00.321 CEST 2019: Number of Peaks: (112, 29)
Wed May 08 11:46:00.343 CEST 2019: Elapsed time for evaluation (PP Suite): 0.41 s.
Wed May 08 11:46:00.353 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:46:00.363 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:46:00.373 CEST 2019: Signal-to-Noise ratio: 769.07 (1.005 ppm)
Wed May 08 11:46:00.383 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:46:00.391 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:46:00.403 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.72 s.
Wed May 08 11:46:00.849 CEST 2019: Number of Multiplets: 318
Wed May 08 11:46:00.869 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.46 s.
Wed May 08 11:46:01.040 CEST 2019: Number of Peak Cluster: 16
Wed May 08 11:46:01.042 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.17 s.
Wed May 08 11:46:01.223 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Wed May 08 11:46:01.992 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.76 s.
Wed May 08 11:46:02.034 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Wed May 08 11:46:02.042 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:46:02.063 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:46:02.065 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:46:02.116 CEST 2019: Number of consistent PNS: 30
Wed May 08 11:46:02.126 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 11:46:02.632 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.50 s.
Wed May 08 11:46:02.650 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:46:05.469 CEST 2019: Elapsed time for evaluation (BU Suite): 3.38 s.
Wed May 08 11:46:05.518 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:46:05.518 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:46:06.464 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.99 s.
Wed May 08 11:46:06.480 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:46:06.495 CEST 2019: CMC-q finished in 7.68 s.
