Mon May 13 14:17:16.416 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:17:16.431 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_G09\1\pdata\1
Mon May 13 14:17:16.457 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:17:16.466 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:17:16.476 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:17:16.506 CEST 2019: No HSQC data available
Mon May 13 14:17:16.526 CEST 2019: No C13 data available
Mon May 13 14:17:16.546 CEST 2019: No HMBC data available
Mon May 13 14:17:16.566 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:17:16.661 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.08 s.
Mon May 13 14:17:17.087 CEST 2019: Structure is used: true
Mon May 13 14:17:17.096 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_G09/1/0110705967.mol
Mon May 13 14:17:17.107 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.43 s.
Mon May 13 14:17:17.116 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:17:17.127 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:17:17.136 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:17:17.147 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:17:17.156 CEST 2019: Spectrum is suppressed.
Mon May 13 14:17:17.166 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:17:17.177 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:17:17.193 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:17:17.206 CEST 2019: Expected impurity: TSP
Mon May 13 14:17:17.216 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:17:17.226 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]
Mon May 13 14:17:17.236 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]
Mon May 13 14:17:17.246 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:17:17.256 CEST 2019: RMSD noise: 722.453 (5.856/5.357)
Mon May 13 14:17:17.266 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:17:17.277 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:17:17.293 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:17:17.341 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:17:17.536 CEST 2019: Number of Peaks: (39, 7)
Mon May 13 14:17:17.559 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 13 14:17:17.567 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:17:17.577 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:17:17.586 CEST 2019: Signal-to-Noise ratio: 5333.70 (2.093 ppm)
Mon May 13 14:17:17.597 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:17:17.606 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:17:17.616 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Mon May 13 14:17:17.657 CEST 2019: Number of Multiplets: 80
Mon May 13 14:17:17.676 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 14:17:17.756 CEST 2019: Number of Peak Cluster: 13
Mon May 13 14:17:17.767 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 13 14:17:17.897 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Mon May 13 14:17:18.311 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Mon May 13 14:17:18.331 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:17:18.341 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:17:18.356 CEST 2019: Number of consistent PNS: 3
Mon May 13 14:17:18.367 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:17:18.377 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:17:18.637 CEST 2019: Number of ASL: 114
Mon May 13 14:17:18.647 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.25 s.
Mon May 13 14:17:18.910 CEST 2019: Elapsed time for evaluation (IN Suite): 0.25 s.
Mon May 13 14:17:18.947 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:17:19.753 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Mon May 13 14:17:19.763 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:17:19.773 CEST 2019: CMC-q finished in 3.36 s.
