Mon May 06 23:03:40.532 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:03:40.532 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\81\pdata\1
Mon May 06 23:03:40.564 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:03:40.579 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:03:40.579 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:03:40.610 CEST 2019: No HSQC data available
Mon May 06 23:03:40.626 CEST 2019: No C13 data available
Mon May 06 23:03:40.657 CEST 2019: No HMBC data available
Mon May 06 23:03:40.673 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:03:40.721 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:03:41.410 CEST 2019: Structure is used: true
Mon May 06 23:03:41.441 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/81/G09.mol
Mon May 06 23:03:41.441 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.72 s.
Mon May 06 23:03:41.472 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:03:41.472 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:03:41.488 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:03:41.488 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:03:41.503 CEST 2019: Spectrum is suppressed.
Mon May 06 23:03:41.519 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:03:41.519 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:03:41.535 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:03:41.550 CEST 2019: Expected impurity: TSP
Mon May 06 23:03:41.566 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:03:41.566 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 23:03:41.581 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 23:03:41.597 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:03:41.597 CEST 2019: RMSD noise: 682.108 (5.856/5.357)
Mon May 06 23:03:41.613 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:03:41.628 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:03:41.628 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:03:41.675 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:03:41.925 CEST 2019: Number of Peaks: (49, 25)
Mon May 06 23:03:41.941 CEST 2019: Elapsed time for evaluation (PP Suite): 0.25 s.
Mon May 06 23:03:41.956 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:03:41.956 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:03:41.972 CEST 2019: Signal-to-Noise ratio: 1311.10 (3.786 ppm)
Mon May 06 23:03:41.988 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:03:41.988 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:03:42.003 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.55 s.
Mon May 06 23:03:42.066 CEST 2019: Number of Multiplets: 128
Mon May 06 23:03:42.066 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 06 23:03:42.159 CEST 2019: Number of Peak Cluster: 14
Mon May 06 23:03:42.175 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 06 23:03:42.269 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Mon May 06 23:03:42.722 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.43 s.
Mon May 06 23:03:42.769 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:03:42.769 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:03:42.784 CEST 2019: Number of consistent PNS: 1
Mon May 06 23:03:42.800 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:03:42.816 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:03:42.956 CEST 2019: Number of ASL: 4
Mon May 06 23:03:42.972 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.15 s.
Mon May 06 23:03:44.393 CEST 2019: Elapsed time for evaluation (IN Suite): 1.41 s.
Mon May 06 23:03:44.440 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:03:44.440 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:03:45.170 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 23:03:45.170 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:03:45.186 CEST 2019: CMC-q finished in 4.65 s.
