Mon May 06 23:32:18.686 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:32:18.702 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\89\pdata\1
Mon May 06 23:32:18.717 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:32:18.733 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:32:18.749 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:32:18.764 CEST 2019: No HSQC data available
Mon May 06 23:32:18.780 CEST 2019: No C13 data available
Mon May 06 23:32:18.816 CEST 2019: No HMBC data available
Mon May 06 23:32:18.826 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:32:18.873 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:32:19.437 CEST 2019: Structure is used: true
Mon May 06 23:32:19.452 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/89/H05.mol
Mon May 06 23:32:19.452 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.57 s.
Mon May 06 23:32:19.468 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:32:19.484 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:32:19.499 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:32:19.499 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:32:19.515 CEST 2019: Spectrum is suppressed.
Mon May 06 23:32:19.531 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:32:19.531 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:32:19.546 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:32:19.562 CEST 2019: Expected impurity: TSP
Mon May 06 23:32:19.577 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:32:19.577 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 23:32:19.593 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 23:32:19.609 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:32:19.609 CEST 2019: RMSD noise: 688.463 (-0.812/-1.312)
Mon May 06 23:32:19.624 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:32:19.640 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:32:19.656 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:32:19.702 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 23:32:19.937 CEST 2019: Number of Peaks: (55, 10)
Mon May 06 23:32:19.984 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Mon May 06 23:32:19.999 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:32:20.013 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:32:20.014 CEST 2019: Signal-to-Noise ratio: 2992.81 (2.358 ppm)
Mon May 06 23:32:20.030 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:32:20.030 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:32:20.046 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.58 s.
Mon May 06 23:32:20.092 CEST 2019: Number of Multiplets: 71
Mon May 06 23:32:20.092 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:32:20.202 CEST 2019: Number of Peak Cluster: 21
Mon May 06 23:32:20.219 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 06 23:32:20.281 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon May 06 23:32:20.734 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.45 s.
Mon May 06 23:32:20.750 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 23:32:20.765 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 23:32:20.781 CEST 2019: Number of consistent PNS: 3
Mon May 06 23:32:20.797 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:32:20.812 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:32:21.453 CEST 2019: Number of ASL: 290
Mon May 06 23:32:21.484 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.66 s.
Mon May 06 23:32:21.718 CEST 2019: Elapsed time for evaluation (IN Suite): 0.22 s.
Mon May 06 23:32:21.750 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:32:22.499 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 06 23:32:22.515 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:32:22.515 CEST 2019: CMC-q finished in 3.83 s.
