Mon May 13 13:27:46.803 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:27:46.813 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_B01\1\pdata\1
Mon May 13 13:27:46.838 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:27:46.843 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:27:46.853 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:27:46.873 CEST 2019: No HSQC data available
Mon May 13 13:27:46.896 CEST 2019: No C13 data available
Mon May 13 13:27:46.913 CEST 2019: No HMBC data available
Mon May 13 13:27:46.923 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:27:46.963 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:27:47.263 CEST 2019: Structure is used: true
Mon May 13 13:27:47.283 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_B01/1/0110705832.mol
Mon May 13 13:27:47.297 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.32 s.
Mon May 13 13:27:47.313 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:27:47.313 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:27:47.323 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:27:47.333 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:27:47.343 CEST 2019: Spectrum is suppressed.
Mon May 13 13:27:47.343 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:27:47.353 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:27:47.363 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:27:47.373 CEST 2019: Expected impurity: TSP
Mon May 13 13:27:47.383 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:27:47.393 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 13:27:47.403 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 13:27:47.413 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:27:47.413 CEST 2019: RMSD noise: 685.859 (-0.203/-0.703)
Mon May 13 13:27:47.423 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:27:47.438 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:27:47.448 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:27:47.483 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:27:47.623 CEST 2019: Number of Peaks: (34, 14)
Mon May 13 13:27:47.633 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon May 13 13:27:47.643 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:27:47.643 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:27:47.653 CEST 2019: Signal-to-Noise ratio: 1921.77 (2.200 ppm)
Mon May 13 13:27:47.663 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:27:47.673 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:27:47.683 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Mon May 13 13:27:47.703 CEST 2019: Number of Multiplets: 65
Mon May 13 13:27:47.713 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 13 13:27:47.772 CEST 2019: Number of Peak Cluster: 15
Mon May 13 13:27:47.783 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 13 13:27:47.808 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon May 13 13:27:48.123 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Mon May 13 13:27:48.143 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:27:48.162 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:27:48.173 CEST 2019: Number of consistent PNS: 3
Mon May 13 13:27:48.183 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:27:48.193 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:27:48.273 CEST 2019: Number of ASL: 42
Mon May 13 13:27:48.283 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Mon May 13 13:27:48.673 CEST 2019: Elapsed time for evaluation (IN Suite): 0.38 s.
Mon May 13 13:27:48.698 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:27:48.703 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:27:49.283 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Mon May 13 13:27:49.293 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:27:49.303 CEST 2019: CMC-q finished in 2.50 s.
