Mon May 06 23:35:06.175 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:35:06.175 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\95\pdata\1
Mon May 06 23:35:06.206 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:35:06.222 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:35:06.222 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:35:06.253 CEST 2019: No HSQC data available
Mon May 06 23:35:06.269 CEST 2019: No C13 data available
Mon May 06 23:35:06.300 CEST 2019: No HMBC data available
Mon May 06 23:35:06.300 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:35:06.361 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:35:07.190 CEST 2019: Structure is used: true
Mon May 06 23:35:07.221 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/95/H11.mol
Mon May 06 23:35:07.237 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.86 s.
Mon May 06 23:35:07.252 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:35:07.252 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:35:07.268 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:35:07.299 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:35:07.299 CEST 2019: Spectrum is suppressed.
Mon May 06 23:35:07.315 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.04 s.
Mon May 06 23:35:07.315 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:35:07.331 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:35:07.346 CEST 2019: Expected impurity: TSP
Mon May 06 23:35:07.362 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:35:07.362 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 06 23:35:07.377 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 06 23:35:07.393 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:35:07.393 CEST 2019: RMSD noise: 706.891 (-0.203/-0.703)
Mon May 06 23:35:07.409 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:35:07.424 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:35:07.424 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:35:07.487 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 23:35:07.784 CEST 2019: Number of Peaks: (60, 25)
Mon May 06 23:35:07.799 CEST 2019: Elapsed time for evaluation (PP Suite): 0.30 s.
Mon May 06 23:35:07.815 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:35:07.815 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:35:07.830 CEST 2019: Signal-to-Noise ratio: 1313.09 (0.902 ppm)
Mon May 06 23:35:07.846 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:35:07.846 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:35:07.862 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.62 s.
Mon May 06 23:35:07.940 CEST 2019: Number of Multiplets: 122
Mon May 06 23:35:07.940 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 06 23:35:08.065 CEST 2019: Number of Peak Cluster: 16
Mon May 06 23:35:08.065 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 06 23:35:08.127 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Mon May 06 23:35:08.611 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.48 s.
Mon May 06 23:35:08.674 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 23:35:08.690 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:35:08.705 CEST 2019: Number of consistent PNS: 8
Mon May 06 23:35:08.721 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 06 23:35:08.736 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:35:17.841 CEST 2019: Number of ASL: 18
Mon May 06 23:35:17.857 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 9.11 s.
Mon May 06 23:35:18.747 CEST 2019: Elapsed time for evaluation (IN Suite): 0.88 s.
Mon May 06 23:35:18.778 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:35:18.778 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:35:19.606 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Mon May 06 23:35:19.638 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:35:19.638 CEST 2019: CMC-q finished in 13.46 s.
