Wed May 08 10:51:13.821 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:51:13.821 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_39\1\pdata\1
Wed May 08 10:51:13.853 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:51:13.868 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:51:13.868 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:51:13.915 CEST 2019: No HSQC data available
Wed May 08 10:51:13.962 CEST 2019: No C13 data available
Wed May 08 10:51:14.009 CEST 2019: No HMBC data available
Wed May 08 10:51:14.009 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:51:14.071 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:51:14.573 CEST 2019: Structure is used: true
Wed May 08 10:51:14.619 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_39/1/D03.mol
Wed May 08 10:51:14.635 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.54 s.
Wed May 08 10:51:14.655 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:51:14.670 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:51:14.670 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:51:14.686 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:51:14.702 CEST 2019: Spectrum is suppressed.
Wed May 08 10:51:14.702 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:51:14.717 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:51:14.733 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:51:14.748 CEST 2019: Expected impurity: TSP
Wed May 08 10:51:14.764 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:51:14.764 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 10:51:14.780 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 10:51:14.795 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 10:51:14.795 CEST 2019: RMSD noise: 660.108 (8.886/8.386)
Wed May 08 10:51:14.811 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:51:14.827 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:51:14.842 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:51:14.890 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:51:15.267 CEST 2019: Number of Peaks: (66, 28)
Wed May 08 10:51:15.282 CEST 2019: Elapsed time for evaluation (PP Suite): 0.39 s.
Wed May 08 10:51:15.299 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:51:15.315 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:51:15.315 CEST 2019: Signal-to-Noise ratio: 785.62 (7.234 ppm)
Wed May 08 10:51:15.331 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:51:15.346 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:51:15.346 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.71 s.
Wed May 08 10:51:15.581 CEST 2019: Number of Multiplets: 203
Wed May 08 10:51:15.581 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.23 s.
Wed May 08 10:51:15.706 CEST 2019: Number of Peak Cluster: 10
Wed May 08 10:51:15.721 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 10:51:15.924 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Wed May 08 10:51:16.505 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.58 s.
Wed May 08 10:51:16.521 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 10:51:16.537 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:51:16.552 CEST 2019: Number of consistent PNS: 2
Wed May 08 10:51:16.568 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:51:16.583 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 10:51:24.243 CEST 2019: Number of ASL: 341
Wed May 08 10:51:24.258 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 7.66 s.
Wed May 08 10:51:27.236 CEST 2019: Elapsed time for evaluation (IN Suite): 2.97 s.
Wed May 08 10:51:27.271 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:51:28.093 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Wed May 08 10:51:28.108 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:51:28.108 CEST 2019: CMC-q finished in 14.30 s.
