Mon May 13 13:29:54.343 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:29:54.353 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_B10\1\pdata\1
Mon May 13 13:29:54.362 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:29:54.383 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:29:54.383 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:29:54.403 CEST 2019: No HSQC data available
Mon May 13 13:29:54.422 CEST 2019: No C13 data available
Mon May 13 13:29:54.443 CEST 2019: No HMBC data available
Mon May 13 13:29:54.452 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:29:54.493 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:29:54.823 CEST 2019: Structure is used: true
Mon May 13 13:29:54.853 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_B10/1/0110705841.mol
Mon May 13 13:29:54.862 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.36 s.
Mon May 13 13:29:54.873 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:29:54.883 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:29:54.892 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:29:54.903 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:29:54.912 CEST 2019: Spectrum is suppressed.
Mon May 13 13:29:54.912 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:29:54.922 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:29:54.932 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:29:54.942 CEST 2019: Expected impurity: TSP
Mon May 13 13:29:54.953 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:29:54.963 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 13:29:54.963 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 13:29:54.972 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Mon May 13 13:29:54.983 CEST 2019: RMSD noise: 686.605 (8.886/8.386)
Mon May 13 13:29:54.993 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:29:55.003 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:29:55.013 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:29:55.048 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:29:55.307 CEST 2019: Number of Peaks: (75, 29)
Mon May 13 13:29:55.322 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Mon May 13 13:29:55.332 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:29:55.343 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:29:55.352 CEST 2019: Signal-to-Noise ratio: 4323.06 (3.125 ppm)
Mon May 13 13:29:55.363 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:29:55.363 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:29:55.372 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 13 13:29:55.428 CEST 2019: Number of Multiplets: 140
Mon May 13 13:29:55.433 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 13:29:55.533 CEST 2019: Number of Peak Cluster: 24
Mon May 13 13:29:55.543 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 13 13:29:55.602 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon May 13 13:29:56.013 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Mon May 13 13:29:56.023 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:29:56.033 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:29:56.053 CEST 2019: Number of consistent PNS: 5
Mon May 13 13:29:56.062 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:29:56.072 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:29:59.223 CEST 2019: Number of ASL: 56
Mon May 13 13:29:59.242 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.17 s.
Mon May 13 13:29:59.748 CEST 2019: Elapsed time for evaluation (IN Suite): 0.49 s.
Mon May 13 13:29:59.762 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:29:59.772 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:30:00.353 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Mon May 13 13:30:00.363 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:30:00.363 CEST 2019: CMC-q finished in 6.02 s.
