Mon May 13 14:20:13.981 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:20:13.986 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_H03\1\pdata\1
Mon May 13 14:20:14.011 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:20:14.016 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:20:14.031 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:20:14.056 CEST 2019: No HSQC data available
Mon May 13 14:20:14.076 CEST 2019: No C13 data available
Mon May 13 14:20:14.096 CEST 2019: No HMBC data available
Mon May 13 14:20:14.106 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:20:14.161 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:20:14.646 CEST 2019: Structure is used: true
Mon May 13 14:20:14.671 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_H03/1/0110705954.mol
Mon May 13 14:20:14.676 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.51 s.
Mon May 13 14:20:14.696 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:20:14.706 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:20:14.716 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:20:14.726 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:20:14.736 CEST 2019: Spectrum is suppressed.
Mon May 13 14:20:14.746 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:20:14.756 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:20:14.768 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:20:14.776 CEST 2019: Expected impurity: TSP
Mon May 13 14:20:14.786 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:20:14.801 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 14:20:14.806 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 14:20:14.821 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:20:14.826 CEST 2019: RMSD noise: 694.177 (-0.203/-0.703)
Mon May 13 14:20:14.836 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:20:14.856 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.01 s.
Mon May 13 14:20:14.906 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:20:14.951 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:20:15.206 CEST 2019: Number of Peaks: (64, 12)
Mon May 13 14:20:15.216 CEST 2019: Elapsed time for evaluation (PP Suite): 0.25 s.
Mon May 13 14:20:15.226 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:20:15.236 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:20:15.246 CEST 2019: Signal-to-Noise ratio: 1159.43 (1.116 ppm)
Mon May 13 14:20:15.256 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:20:15.266 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:20:15.276 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.59 s.
Mon May 13 14:20:15.321 CEST 2019: Number of Multiplets: 102
Mon May 13 14:20:15.326 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 14:20:15.466 CEST 2019: Number of Peak Cluster: 26
Mon May 13 14:20:15.476 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.13 s.
Mon May 13 14:20:15.536 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Mon May 13 14:20:15.976 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.43 s.
Mon May 13 14:20:15.986 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:20:16.006 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:20:16.026 CEST 2019: Number of consistent PNS: 5
Mon May 13 14:20:16.036 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:20:16.046 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:20:16.386 CEST 2019: Number of ASL: 60
Mon May 13 14:20:16.416 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.36 s.
Mon May 13 14:20:17.273 CEST 2019: Elapsed time for evaluation (IN Suite): 0.84 s.
Mon May 13 14:20:17.296 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:20:17.306 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:20:18.131 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Mon May 13 14:20:18.141 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:20:18.146 CEST 2019: CMC-q finished in 4.17 s.
