Wed May 08 10:45:41.752 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:45:41.768 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_22\1\pdata\1
Wed May 08 10:45:41.799 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:45:41.814 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:45:41.830 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:45:41.893 CEST 2019: No HSQC data available
Wed May 08 10:45:41.939 CEST 2019: No C13 data available
Wed May 08 10:45:41.986 CEST 2019: No HMBC data available
Wed May 08 10:45:42.018 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 10:45:42.096 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 10:45:42.978 CEST 2019: Structure is used: true
Wed May 08 10:45:43.009 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_22/1/B10.mol
Wed May 08 10:45:43.025 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.92 s.
Wed May 08 10:45:43.048 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.02 s.
Wed May 08 10:45:43.063 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:45:43.063 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:45:43.079 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:45:43.095 CEST 2019: Spectrum is suppressed.
Wed May 08 10:45:43.110 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:45:43.393 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:45:43.408 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:45:43.424 CEST 2019: Expected impurity: TSP
Wed May 08 10:45:43.424 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:45:43.440 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 10:45:43.455 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 10:45:43.471 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 10:45:43.471 CEST 2019: RMSD noise: 679.955 (8.886/8.386)
Wed May 08 10:45:43.486 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:45:43.498 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:45:43.513 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:45:43.560 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:45:43.748 CEST 2019: Number of Peaks: (30, 22)
Wed May 08 10:45:43.763 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 10:45:43.763 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:45:43.779 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:45:43.794 CEST 2019: Signal-to-Noise ratio: 1408.05 (2.916 ppm)
Wed May 08 10:45:43.794 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:45:43.810 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:45:43.826 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.79 s.
Wed May 08 10:45:43.857 CEST 2019: Number of Multiplets: 54
Wed May 08 10:45:43.857 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 10:45:43.935 CEST 2019: Number of Peak Cluster: 11
Wed May 08 10:45:43.951 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 10:45:44.013 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 10:45:44.450 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.43 s.
Wed May 08 10:45:44.482 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 10:45:44.482 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:45:44.513 CEST 2019: Number of consistent PNS: 6
Wed May 08 10:45:44.513 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:45:44.529 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:46:03.753 CEST 2019: Number of ASL: 265
Wed May 08 10:46:03.769 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 19.23 s.
Wed May 08 10:46:04.270 CEST 2019: Elapsed time for evaluation (IN Suite): 0.49 s.
Wed May 08 10:46:04.286 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:46:04.302 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:46:05.082 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 10:46:05.098 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:46:05.098 CEST 2019: CMC-q finished in 23.35 s.
