Mon May 06 23:15:40.954 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:15:40.970 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\26\pdata\1
Mon May 06 23:15:40.985 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:15:41.001 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:15:41.016 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:15:41.032 CEST 2019: No HSQC data available
Mon May 06 23:15:41.063 CEST 2019: No C13 data available
Mon May 06 23:15:41.079 CEST 2019: No HMBC data available
Mon May 06 23:15:41.095 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:15:41.165 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon May 06 23:15:41.635 CEST 2019: Structure is used: true
Mon May 06 23:15:41.650 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/26/C02.mol
Mon May 06 23:15:41.666 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.49 s.
Mon May 06 23:15:41.682 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:15:41.697 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:15:41.697 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:15:41.713 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:15:41.729 CEST 2019: Spectrum is suppressed.
Mon May 06 23:15:41.729 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:15:41.744 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:15:41.760 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:15:41.775 CEST 2019: Expected impurity: TSP
Mon May 06 23:15:41.775 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:15:41.791 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 23:15:41.807 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 23:15:41.807 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:15:41.822 CEST 2019: RMSD noise: 690.173 (8.886/8.386)
Mon May 06 23:15:41.838 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:15:41.838 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:15:41.853 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:15:41.900 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:15:42.088 CEST 2019: Number of Peaks: (51, 6)
Mon May 06 23:15:42.088 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Mon May 06 23:15:42.103 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:15:42.119 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:15:42.119 CEST 2019: Signal-to-Noise ratio: 3561.80 (3.950 ppm)
Mon May 06 23:15:42.135 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:15:42.150 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:15:42.150 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.48 s.
Mon May 06 23:15:42.197 CEST 2019: Number of Multiplets: 83
Mon May 06 23:15:42.213 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:15:42.322 CEST 2019: Number of Peak Cluster: 22
Mon May 06 23:15:42.322 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 06 23:15:42.431 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 06 23:15:42.822 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 06 23:15:42.838 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:15:42.853 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:15:42.869 CEST 2019: Number of consistent PNS: 5
Mon May 06 23:15:42.885 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:15:42.900 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:15:50.123 CEST 2019: Number of ASL: 489
Mon May 06 23:15:50.139 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 7.23 s.
Mon May 06 23:15:50.779 CEST 2019: Elapsed time for evaluation (IN Suite): 0.63 s.
Mon May 06 23:15:50.810 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:15:50.826 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:15:51.532 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.74 s.
Mon May 06 23:15:51.532 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:15:51.547 CEST 2019: CMC-q finished in 10.59 s.
