Wed May 08 11:24:29.312 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:24:29.312 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_69\1\pdata\1
Wed May 08 11:24:29.343 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:24:29.359 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:24:29.375 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:24:29.406 CEST 2019: No HSQC data available
Wed May 08 11:24:29.453 CEST 2019: No C13 data available
Wed May 08 11:24:29.484 CEST 2019: No HMBC data available
Wed May 08 11:24:29.532 CEST 2019: Elapsed time for evaluation (XD Suite): 0.02 s.
Wed May 08 11:24:29.594 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:24:30.579 CEST 2019: Structure is used: true
Wed May 08 11:24:30.606 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_69/1/F09.mol
Wed May 08 11:24:30.606 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.97 s.
Wed May 08 11:24:30.637 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:24:30.653 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:24:30.653 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:24:30.668 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:24:30.668 CEST 2019: Spectrum is suppressed.
Wed May 08 11:24:30.684 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:24:30.699 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:24:30.699 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:24:30.715 CEST 2019: Expected impurity: TSP
Wed May 08 11:24:30.732 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:24:30.748 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 11:24:30.748 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 11:24:30.763 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:24:30.779 CEST 2019: RMSD noise: 650.897 (10.704/10.204)
Wed May 08 11:24:30.779 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:24:30.794 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:24:30.810 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:24:30.857 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:24:31.060 CEST 2019: Number of Peaks: (29, 20)
Wed May 08 11:24:31.076 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Wed May 08 11:24:31.076 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:24:31.091 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:24:31.107 CEST 2019: Signal-to-Noise ratio: 413.29 (7.652 ppm)
Wed May 08 11:24:31.122 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:24:31.122 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:24:31.138 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Wed May 08 11:24:31.169 CEST 2019: Number of Multiplets: 60
Wed May 08 11:24:31.169 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 11:24:31.247 CEST 2019: Number of Peak Cluster: 12
Wed May 08 11:24:31.263 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 11:24:31.341 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 11:24:31.669 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Wed May 08 11:24:31.716 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:24:31.731 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:24:31.747 CEST 2019: Number of consistent PNS: 3
Wed May 08 11:24:31.763 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:24:31.764 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:24:40.209 CEST 2019: Number of ASL: 73
Wed May 08 11:24:40.225 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 8.44 s.
Wed May 08 11:24:40.947 CEST 2019: Elapsed time for evaluation (IN Suite): 0.71 s.
Wed May 08 11:24:40.979 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:24:40.995 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:24:40.995 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:24:41.833 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.87 s.
Wed May 08 11:24:41.849 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:24:41.849 CEST 2019: CMC-q finished in 12.54 s.
