Wed May 08 16:10:10.351 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:10:10.351 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_C08\1\pdata\1
Wed May 08 16:10:10.382 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:10:10.382 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:10:10.398 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:10:10.460 CEST 2019: No HSQC data available
Wed May 08 16:10:10.492 CEST 2019: No C13 data available
Wed May 08 16:10:10.540 CEST 2019: No HMBC data available
Wed May 08 16:10:10.555 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:10:10.611 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:10:11.521 CEST 2019: Structure is used: true
Wed May 08 16:10:11.552 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_C08/1/C08.mol
Wed May 08 16:10:11.556 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.93 s.
Wed May 08 16:10:11.571 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:10:11.587 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:10:11.605 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:10:11.605 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:10:11.621 CEST 2019: Spectrum is suppressed.
Wed May 08 16:10:11.621 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:10:11.637 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:10:11.653 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:10:11.657 CEST 2019: Expected impurity: TSP
Wed May 08 16:10:11.673 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:10:11.673 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 16:10:11.688 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 16:10:11.704 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:10:11.704 CEST 2019: RMSD noise: 649.598 (6.462/5.963)
Wed May 08 16:10:11.721 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:10:11.721 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:10:11.737 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:10:11.784 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:10:11.972 CEST 2019: Number of Peaks: (40, 18)
Wed May 08 16:10:11.988 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 16:10:11.988 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:10:12.004 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:10:12.019 CEST 2019: Signal-to-Noise ratio: 2474.28 (2.138 ppm)
Wed May 08 16:10:12.019 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:10:12.035 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:10:12.051 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.48 s.
Wed May 08 16:10:12.082 CEST 2019: Number of Multiplets: 72
Wed May 08 16:10:12.097 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 16:10:12.191 CEST 2019: Number of Peak Cluster: 18
Wed May 08 16:10:12.207 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 16:10:12.238 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 16:10:12.675 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Wed May 08 16:10:12.691 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:10:12.691 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:10:12.722 CEST 2019: Number of consistent PNS: 5
Wed May 08 16:10:12.722 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:10:12.738 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:10:23.434 CEST 2019: Number of ASL: 54
Wed May 08 16:10:23.449 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 10.69 s.
Wed May 08 16:10:24.296 CEST 2019: Elapsed time for evaluation (IN Suite): 0.82 s.
Wed May 08 16:10:24.325 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:10:24.341 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:10:25.107 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Wed May 08 16:10:25.107 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:10:25.123 CEST 2019: CMC-q finished in 14.77 s.
