Mon May 13 14:12:15.217 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:12:15.237 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_F04\1\pdata\1
Mon May 13 14:12:15.257 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:12:15.272 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:12:15.287 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:12:15.307 CEST 2019: No HSQC data available
Mon May 13 14:12:15.327 CEST 2019: No C13 data available
Mon May 13 14:12:15.347 CEST 2019: No HMBC data available
Mon May 13 14:12:15.357 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:12:15.417 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:12:15.867 CEST 2019: Structure is used: true
Mon May 13 14:12:15.897 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_F04/1/0110705979.mol
Mon May 13 14:12:15.907 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.49 s.
Mon May 13 14:12:15.927 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:12:15.937 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:12:15.947 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:12:15.957 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:12:15.967 CEST 2019: Spectrum is suppressed.
Mon May 13 14:12:15.977 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:12:15.987 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:12:15.997 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:12:16.007 CEST 2019: Expected impurity: TSP
Mon May 13 14:12:16.017 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:12:16.033 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 14:12:16.037 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 14:12:16.047 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:12:16.057 CEST 2019: RMSD noise: 687.773 (8.280/7.780)
Mon May 13 14:12:16.067 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:12:16.077 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:12:16.097 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:12:16.137 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:12:16.357 CEST 2019: Number of Peaks: (48, 16)
Mon May 13 14:12:16.367 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Mon May 13 14:12:16.377 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:12:16.392 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:12:16.402 CEST 2019: Signal-to-Noise ratio: 594.63 (4.188 ppm)
Mon May 13 14:12:16.412 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:12:16.422 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:12:16.433 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Mon May 13 14:12:16.497 CEST 2019: Number of Multiplets: 128
Mon May 13 14:12:16.507 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 13 14:12:16.607 CEST 2019: Number of Peak Cluster: 16
Mon May 13 14:12:16.622 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 13 14:12:16.807 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Mon May 13 14:12:17.227 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Mon May 13 14:12:17.257 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:12:17.267 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:12:17.287 CEST 2019: Number of consistent PNS: 4
Mon May 13 14:12:17.297 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:12:17.307 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:12:17.567 CEST 2019: Number of ASL: 15
Mon May 13 14:12:17.577 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.26 s.
Mon May 13 14:12:18.097 CEST 2019: Elapsed time for evaluation (IN Suite): 0.50 s.
Mon May 13 14:12:18.127 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:12:18.137 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:12:18.882 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 13 14:12:18.892 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:12:18.902 CEST 2019: CMC-q finished in 3.69 s.
