Wed May 08 09:33:53.787 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:33:53.803 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_83\1\pdata\1
Wed May 08 09:33:53.819 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:33:53.819 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:33:53.834 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:33:53.850 CEST 2019: No HSQC data available
Wed May 08 09:33:53.866 CEST 2019: No C13 data available
Wed May 08 09:33:53.897 CEST 2019: No HMBC data available
Wed May 08 09:33:53.897 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:33:53.959 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 09:33:54.324 CEST 2019: Structure is used: true
Wed May 08 09:33:54.340 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_83/1/87.mol
Wed May 08 09:33:54.340 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.37 s.
Wed May 08 09:33:54.357 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:33:54.373 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:33:54.373 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:33:54.388 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:33:54.388 CEST 2019: Spectrum is suppressed.
Wed May 08 09:33:54.404 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:33:54.404 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:33:54.420 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:33:54.435 CEST 2019: Expected impurity: TSP
Wed May 08 09:33:54.435 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:33:54.451 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 09:33:54.451 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 09:33:54.466 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:33:54.466 CEST 2019: RMSD noise: 650.759 (-0.812/-1.312)
Wed May 08 09:33:54.482 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:33:54.482 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:33:54.498 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:33:54.529 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:33:54.687 CEST 2019: Number of Peaks: (43, 11)
Wed May 08 09:33:54.687 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Wed May 08 09:33:54.702 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:33:54.702 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:33:54.718 CEST 2019: Signal-to-Noise ratio: 994.58 (7.789 ppm)
Wed May 08 09:33:54.718 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:33:54.733 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:33:54.733 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Wed May 08 09:33:54.780 CEST 2019: Number of Multiplets: 81
Wed May 08 09:33:54.780 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:33:54.843 CEST 2019: Number of Peak Cluster: 16
Wed May 08 09:33:54.858 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:33:54.984 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Wed May 08 09:33:55.281 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Wed May 08 09:33:55.312 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:33:55.312 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:33:55.328 CEST 2019: Number of consistent PNS: 4
Wed May 08 09:33:55.328 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:33:55.343 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:33:55.907 CEST 2019: Number of ASL: 270
Wed May 08 09:33:55.923 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.56 s.
Wed May 08 09:33:56.190 CEST 2019: Elapsed time for evaluation (IN Suite): 0.26 s.
Wed May 08 09:33:56.205 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:33:56.772 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.57 s.
Wed May 08 09:33:56.772 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:33:56.788 CEST 2019: CMC-q finished in 3.00 s.
