Mon May 06 22:42:44.194 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:42:44.194 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\18\pdata\1
Mon May 06 22:42:44.225 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:42:44.225 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:42:44.240 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:42:44.256 CEST 2019: No HSQC data available
Mon May 06 22:42:44.287 CEST 2019: No C13 data available
Mon May 06 22:42:44.303 CEST 2019: No HMBC data available
Mon May 06 22:42:44.319 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:42:44.372 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:42:44.998 CEST 2019: Structure is used: true
Mon May 06 22:42:45.030 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/18/B06.mol
Mon May 06 22:42:45.045 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.66 s.
Mon May 06 22:42:45.061 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:42:45.061 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:42:45.077 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:42:45.092 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:42:45.092 CEST 2019: Spectrum is suppressed.
Mon May 06 22:42:45.108 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:42:45.123 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:42:45.123 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:42:45.139 CEST 2019: Expected impurity: TSP
Mon May 06 22:42:45.155 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:42:45.155 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 22:42:45.170 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 22:42:45.186 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 22:42:45.186 CEST 2019: RMSD noise: 681.204 (-0.203/-0.703)
Mon May 06 22:42:45.201 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:42:45.217 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:42:45.217 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:42:45.264 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:42:45.748 CEST 2019: Number of Peaks: (95, 26)
Mon May 06 22:42:45.764 CEST 2019: Elapsed time for evaluation (PP Suite): 0.48 s.
Mon May 06 22:42:45.795 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:42:45.795 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:42:45.811 CEST 2019: Signal-to-Noise ratio: 4907.34 (3.662 ppm)
Mon May 06 22:42:45.826 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:42:45.826 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:42:45.842 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.79 s.
Mon May 06 22:42:46.482 CEST 2019: Number of Multiplets: 356
Mon May 06 22:42:46.514 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.66 s.
Mon May 06 22:42:46.732 CEST 2019: Number of Peak Cluster: 16
Mon May 06 22:42:46.748 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.23 s.
Mon May 06 22:42:46.811 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 06 22:42:47.732 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.90 s.
Mon May 06 22:42:47.748 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 22:42:47.763 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:42:47.795 CEST 2019: Number of consistent PNS: 7
Mon May 06 22:42:47.810 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 06 22:42:48.216 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.40 s.
Mon May 06 22:43:02.078 CEST 2019: Number of ASL: 89
Mon May 06 22:43:02.093 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 13.86 s.
Mon May 06 22:43:06.113 CEST 2019: Elapsed time for evaluation (IN Suite): 4.02 s.
Mon May 06 22:43:06.144 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:43:06.159 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:43:06.894 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 22:43:06.909 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:43:06.909 CEST 2019: CMC-q finished in 22.71 s.
