Mon May 06 22:42:20.738 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:42:20.754 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\16\pdata\1
Mon May 06 22:42:20.766 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:42:20.782 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:42:20.798 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:42:20.813 CEST 2019: No HSQC data available
Mon May 06 22:42:20.829 CEST 2019: No C13 data available
Mon May 06 22:42:20.860 CEST 2019: No HMBC data available
Mon May 06 22:42:20.876 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:42:20.923 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:42:21.300 CEST 2019: Structure is used: true
Mon May 06 22:42:21.332 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/16/B04.mol
Mon May 06 22:42:21.347 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.41 s.
Mon May 06 22:42:21.363 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:42:21.378 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:42:21.378 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:42:21.394 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:42:21.394 CEST 2019: Spectrum is suppressed.
Mon May 06 22:42:21.411 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:42:21.427 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:42:21.427 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:42:21.442 CEST 2019: Expected impurity: TSP
Mon May 06 22:42:21.458 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:42:21.473 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 22:42:21.473 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 22:42:21.489 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 22:42:21.489 CEST 2019: RMSD noise: 687.199 (9.492/8.992)
Mon May 06 22:42:21.505 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:42:21.520 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:42:21.536 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:42:21.567 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 22:42:21.833 CEST 2019: Number of Peaks: (60, 19)
Mon May 06 22:42:21.848 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Mon May 06 22:42:21.848 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:42:21.864 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:42:21.880 CEST 2019: Signal-to-Noise ratio: 1487.18 (1.263 ppm)
Mon May 06 22:42:21.880 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:42:21.895 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:42:21.911 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.55 s.
Mon May 06 22:42:21.942 CEST 2019: Number of Multiplets: 80
Mon May 06 22:42:21.958 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 22:42:22.067 CEST 2019: Number of Peak Cluster: 26
Mon May 06 22:42:22.083 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 06 22:42:22.130 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon May 06 22:42:22.615 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.47 s.
Mon May 06 22:42:22.662 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 22:42:22.678 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 22:42:22.693 CEST 2019: Number of consistent PNS: 3
Mon May 06 22:42:22.709 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:42:22.709 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 22:42:22.898 CEST 2019: Number of ASL: 58
Mon May 06 22:42:22.898 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.18 s.
Mon May 06 22:42:23.257 CEST 2019: Elapsed time for evaluation (IN Suite): 0.35 s.
Mon May 06 22:42:23.304 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:42:23.304 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:42:24.039 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 22:42:24.055 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:42:24.071 CEST 2019: CMC-q finished in 3.33 s.
