Mon May 13 14:20:01.146 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:20:01.176 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_H02\1\pdata\1
Mon May 13 14:20:01.196 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:20:01.216 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:20:01.226 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:20:01.246 CEST 2019: No HSQC data available
Mon May 13 14:20:01.276 CEST 2019: No C13 data available
Mon May 13 14:20:01.296 CEST 2019: No HMBC data available
Mon May 13 14:20:01.306 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:20:01.366 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:20:01.786 CEST 2019: Structure is used: true
Mon May 13 14:20:01.796 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_H02/1/0110705953.mol
Mon May 13 14:20:01.806 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.43 s.
Mon May 13 14:20:01.821 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:20:01.836 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:20:01.846 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:20:01.856 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:20:01.866 CEST 2019: Spectrum is suppressed.
Mon May 13 14:20:01.876 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:20:01.886 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:20:01.896 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:20:01.906 CEST 2019: Expected impurity: TSP
Mon May 13 14:20:01.916 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:20:01.926 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 14:20:01.941 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 14:20:01.946 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:20:01.956 CEST 2019: RMSD noise: 631.709 (-0.812/-1.312)
Mon May 13 14:20:01.971 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:20:01.984 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:20:01.996 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:20:02.041 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:20:02.316 CEST 2019: Number of Peaks: (59, 12)
Mon May 13 14:20:02.356 CEST 2019: Elapsed time for evaluation (PP Suite): 0.31 s.
Mon May 13 14:20:02.366 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:20:02.386 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:20:02.396 CEST 2019: Signal-to-Noise ratio: 4105.89 (2.297 ppm)
Mon May 13 14:20:02.406 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:20:02.416 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:20:02.426 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.61 s.
Mon May 13 14:20:02.486 CEST 2019: Number of Multiplets: 106
Mon May 13 14:20:02.506 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon May 13 14:20:02.946 CEST 2019: Number of Peak Cluster: 24
Mon May 13 14:20:02.956 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.44 s.
Mon May 13 14:20:03.151 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.18 s.
Mon May 13 14:20:03.531 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Mon May 13 14:20:03.546 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:20:03.566 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:20:03.576 CEST 2019: Number of consistent PNS: 2
Mon May 13 14:20:03.586 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:20:03.606 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:20:03.656 CEST 2019: Number of ASL: 34
Mon May 13 14:20:03.666 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon May 13 14:20:03.756 CEST 2019: Elapsed time for evaluation (IN Suite): 0.08 s.
Mon May 13 14:20:03.786 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:20:04.546 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Mon May 13 14:20:04.576 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:20:04.586 CEST 2019: CMC-q finished in 3.44 s.
