Wed May 08 11:51:00.829 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:51:00.839 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_16\1\pdata\1
Wed May 08 11:51:00.861 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:51:00.869 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:51:00.881 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:51:00.930 CEST 2019: No HSQC data available
Wed May 08 11:51:00.982 CEST 2019: No C13 data available
Wed May 08 11:51:01.043 CEST 2019: No HMBC data available
Wed May 08 11:51:01.053 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:51:01.114 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:51:01.762 CEST 2019: Structure is used: true
Wed May 08 11:51:01.810 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_16/1/B04.mol
Wed May 08 11:51:01.820 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.69 s.
Wed May 08 11:51:01.843 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:51:01.853 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:51:01.863 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:51:01.873 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:51:01.883 CEST 2019: Spectrum is suppressed.
Wed May 08 11:51:01.893 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:51:01.903 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:51:01.913 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:51:01.923 CEST 2019: Expected impurity: TSP
Wed May 08 11:51:01.934 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:51:01.944 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 11:51:01.954 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 11:51:01.962 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:51:01.974 CEST 2019: RMSD noise: 726.923 (0.403/-0.097)
Wed May 08 11:51:01.992 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:51:02.004 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:51:02.015 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:51:02.075 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Wed May 08 11:51:02.490 CEST 2019: Number of Peaks: (98, 16)
Wed May 08 11:51:02.521 CEST 2019: Elapsed time for evaluation (PP Suite): 0.43 s.
Wed May 08 11:51:02.531 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:51:02.541 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:51:02.549 CEST 2019: Signal-to-Noise ratio: 1083.85 (1.323 ppm)
Wed May 08 11:51:02.563 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:51:02.571 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:51:02.581 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.76 s.
Wed May 08 11:51:02.792 CEST 2019: Number of Multiplets: 194
Wed May 08 11:51:02.802 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.20 s.
Wed May 08 11:51:02.954 CEST 2019: Number of Peak Cluster: 19
Wed May 08 11:51:02.965 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Wed May 08 11:51:03.116 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.14 s.
Wed May 08 11:51:03.736 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.61 s.
Wed May 08 11:51:03.766 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 11:51:03.776 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:51:03.795 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:51:03.805 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:51:03.827 CEST 2019: Number of consistent PNS: 30
Wed May 08 11:51:03.837 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:51:03.989 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.14 s.
Wed May 08 11:51:03.999 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:51:06.860 CEST 2019: Elapsed time for evaluation (BU Suite): 3.05 s.
Wed May 08 11:51:06.893 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:51:06.893 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:51:07.744 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.87 s.
Wed May 08 11:51:07.744 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:51:07.759 CEST 2019: CMC-q finished in 6.93 s.
