Wed May 08 09:35:52.793 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:35:52.809 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_90\1\pdata\1
Wed May 08 09:35:52.825 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:35:52.840 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:35:52.840 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:35:52.856 CEST 2019: No HSQC data available
Wed May 08 09:35:52.872 CEST 2019: No C13 data available
Wed May 08 09:35:52.903 CEST 2019: No HMBC data available
Wed May 08 09:35:52.903 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:35:52.952 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:35:53.622 CEST 2019: Structure is used: true
Wed May 08 09:35:53.637 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_90/1/48.mol
Wed May 08 09:35:53.653 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.70 s.
Wed May 08 09:35:53.670 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:35:53.670 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:35:53.686 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:35:53.686 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:35:53.701 CEST 2019: Spectrum is suppressed.
Wed May 08 09:35:53.701 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:35:53.717 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:35:53.717 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:35:53.732 CEST 2019: Expected impurity: TSP
Wed May 08 09:35:53.748 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:35:53.748 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 09:35:53.748 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 09:35:53.764 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:35:53.764 CEST 2019: RMSD noise: 655.750 (10.704/10.204)
Wed May 08 09:35:53.779 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:35:53.795 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:35:53.797 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:35:53.828 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:35:53.969 CEST 2019: Number of Peaks: (42, 20)
Wed May 08 09:35:54.000 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Wed May 08 09:35:54.001 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:35:54.001 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:35:54.017 CEST 2019: Signal-to-Noise ratio: 1798.72 (5.562 ppm)
Wed May 08 09:35:54.032 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:35:54.032 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:35:54.048 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Wed May 08 09:35:54.064 CEST 2019: Number of Multiplets: 68
Wed May 08 09:35:54.064 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Wed May 08 09:35:54.126 CEST 2019: Number of Peak Cluster: 19
Wed May 08 09:35:54.142 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:35:54.173 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Wed May 08 09:35:54.456 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Wed May 08 09:35:54.471 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:35:54.471 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:35:54.487 CEST 2019: Number of consistent PNS: 5
Wed May 08 09:35:54.503 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:35:54.503 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:36:01.258 CEST 2019: Number of ASL: 108
Wed May 08 09:36:01.273 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 6.76 s.
Wed May 08 09:36:01.555 CEST 2019: Elapsed time for evaluation (IN Suite): 0.27 s.
Wed May 08 09:36:01.570 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:36:02.133 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.57 s.
Wed May 08 09:36:02.133 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:36:02.148 CEST 2019: CMC-q finished in 9.36 s.
