Wed May 08 11:20:11.281 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:20:11.281 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_61\1\pdata\1
Wed May 08 11:20:11.313 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:20:11.328 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:20:11.328 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:20:11.375 CEST 2019: No HSQC data available
Wed May 08 11:20:11.406 CEST 2019: No C13 data available
Wed May 08 11:20:11.453 CEST 2019: No HMBC data available
Wed May 08 11:20:11.453 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:20:11.516 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:20:12.157 CEST 2019: Structure is used: true
Wed May 08 11:20:12.189 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_61/1/F01.mol
Wed May 08 11:20:12.204 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.67 s.
Wed May 08 11:20:12.224 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.02 s.
Wed May 08 11:20:12.239 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:20:12.239 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:20:12.255 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:20:12.270 CEST 2019: Spectrum is suppressed.
Wed May 08 11:20:12.270 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:20:12.286 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:20:12.286 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:20:12.302 CEST 2019: Expected impurity: TSP
Wed May 08 11:20:12.317 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:20:12.333 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 11:20:12.334 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 11:20:12.350 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:20:12.362 CEST 2019: RMSD noise: 708.169 (7.674/7.174)
Wed May 08 11:20:12.363 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:20:12.378 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:20:12.394 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:20:12.425 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:20:12.598 CEST 2019: Number of Peaks: (29, 21)
Wed May 08 11:20:12.614 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 11:20:12.630 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:20:12.630 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:20:12.645 CEST 2019: Signal-to-Noise ratio: 1698.57 (3.431 ppm)
Wed May 08 11:20:12.661 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:20:12.661 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:20:12.677 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.47 s.
Wed May 08 11:20:12.692 CEST 2019: Number of Multiplets: 44
Wed May 08 11:20:12.708 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Wed May 08 11:20:12.770 CEST 2019: Number of Peak Cluster: 14
Wed May 08 11:20:12.786 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 11:20:12.817 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Wed May 08 11:20:13.223 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Wed May 08 11:20:13.239 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:20:13.254 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:20:13.270 CEST 2019: Number of consistent PNS: 2
Wed May 08 11:20:13.286 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:20:13.286 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:20:17.192 CEST 2019: Number of ASL: 81
Wed May 08 11:20:17.208 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.91 s.
Wed May 08 11:20:17.804 CEST 2019: Elapsed time for evaluation (IN Suite): 0.58 s.
Wed May 08 11:20:17.838 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:20:17.838 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:20:18.668 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Wed May 08 11:20:18.683 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:20:18.699 CEST 2019: CMC-q finished in 7.42 s.
