Wed May 08 16:22:54.614 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:22:54.630 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_F11\1\pdata\1
Wed May 08 16:22:54.646 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:22:54.661 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:22:54.677 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:22:54.739 CEST 2019: No HSQC data available
Wed May 08 16:22:54.786 CEST 2019: No C13 data available
Wed May 08 16:22:54.834 CEST 2019: No HMBC data available
Wed May 08 16:22:54.850 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 16:22:54.907 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:22:55.838 CEST 2019: Structure is used: true
Wed May 08 16:22:55.854 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_F11/1/F11.mol
Wed May 08 16:22:55.869 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.95 s.
Wed May 08 16:22:55.885 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:22:55.902 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:22:55.902 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:22:55.918 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:22:55.933 CEST 2019: Spectrum is suppressed.
Wed May 08 16:22:55.933 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:22:55.949 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:22:55.949 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:22:55.964 CEST 2019: Expected impurity: TSP
Wed May 08 16:22:55.980 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:22:55.996 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 16:22:55.996 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 16:22:56.011 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:22:56.011 CEST 2019: RMSD noise: 644.132 (-0.812/-1.312)
Wed May 08 16:22:56.027 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:22:56.043 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:22:56.058 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:22:56.105 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:22:56.425 CEST 2019: Number of Peaks: (67, 23)
Wed May 08 16:22:56.450 CEST 2019: Elapsed time for evaluation (PP Suite): 0.33 s.
Wed May 08 16:22:56.451 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:22:56.467 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:22:56.467 CEST 2019: Signal-to-Noise ratio: 3728.23 (3.730 ppm)
Wed May 08 16:22:56.483 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:22:56.498 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:22:56.498 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.62 s.
Wed May 08 16:22:56.578 CEST 2019: Number of Multiplets: 128
Wed May 08 16:22:56.593 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Wed May 08 16:22:56.735 CEST 2019: Number of Peak Cluster: 23
Wed May 08 16:22:56.751 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Wed May 08 16:22:56.866 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Wed May 08 16:22:57.334 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.45 s.
Wed May 08 16:22:57.366 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 16:22:57.381 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:22:57.413 CEST 2019: Number of consistent PNS: 6
Wed May 08 16:22:57.428 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:22:57.444 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:23:12.835 CEST 2019: Number of ASL: 453
Wed May 08 16:23:12.851 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 15.41 s.
Wed May 08 16:23:15.417 CEST 2019: Elapsed time for evaluation (IN Suite): 2.55 s.
Wed May 08 16:23:15.432 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:23:16.265 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Wed May 08 16:23:16.281 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:23:16.297 CEST 2019: CMC-q finished in 21.68 s.
