Wed May 08 16:18:51.782 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:18:51.782 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_E09\1\pdata\1
Wed May 08 16:18:51.813 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:18:51.829 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:18:51.829 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:18:51.892 CEST 2019: No HSQC data available
Wed May 08 16:18:51.923 CEST 2019: No C13 data available
Wed May 08 16:18:51.970 CEST 2019: No HMBC data available
Wed May 08 16:18:51.986 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 16:18:52.042 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:18:52.754 CEST 2019: Structure is used: true
Wed May 08 16:18:52.785 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_E09/1/E09.mol
Wed May 08 16:18:52.785 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.74 s.
Wed May 08 16:18:52.817 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:18:52.817 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:18:52.832 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:18:52.832 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:18:52.848 CEST 2019: Spectrum is suppressed.
Wed May 08 16:18:52.863 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:18:52.863 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:18:52.879 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:18:52.895 CEST 2019: Expected impurity: TSP
Wed May 08 16:18:52.895 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:18:52.910 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 16:18:52.926 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 16:18:52.926 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:18:52.942 CEST 2019: RMSD noise: 628.588 (-0.812/-1.312)
Wed May 08 16:18:52.942 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:18:52.957 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:18:52.973 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:18:53.020 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:18:53.254 CEST 2019: Number of Peaks: (62, 17)
Wed May 08 16:18:53.270 CEST 2019: Elapsed time for evaluation (PP Suite): 0.25 s.
Wed May 08 16:18:53.287 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:18:53.302 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:18:53.302 CEST 2019: Signal-to-Noise ratio: 1072.43 (1.182 ppm)
Wed May 08 16:18:53.318 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:18:53.334 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:18:53.334 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Wed May 08 16:18:53.412 CEST 2019: Number of Multiplets: 159
Wed May 08 16:18:53.427 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Wed May 08 16:18:53.554 CEST 2019: Number of Peak Cluster: 15
Wed May 08 16:18:53.554 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 16:18:53.788 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.22 s.
Wed May 08 16:18:54.166 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Wed May 08 16:18:54.197 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:18:54.213 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:18:54.228 CEST 2019: Number of consistent PNS: 2
Wed May 08 16:18:54.244 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:18:54.260 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:18:58.702 CEST 2019: Number of ASL: 201
Wed May 08 16:18:58.733 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 4.45 s.
Wed May 08 16:18:59.634 CEST 2019: Elapsed time for evaluation (IN Suite): 0.90 s.
Wed May 08 16:18:59.681 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:19:00.621 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.96 s.
Wed May 08 16:19:00.637 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:19:00.637 CEST 2019: CMC-q finished in 8.86 s.
