Mon May 06 23:14:34.058 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:14:34.074 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\22\pdata\1
Mon May 06 23:14:34.090 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:14:34.105 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:14:34.105 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:14:34.136 CEST 2019: No HSQC data available
Mon May 06 23:14:34.152 CEST 2019: No C13 data available
Mon May 06 23:14:34.168 CEST 2019: No HMBC data available
Mon May 06 23:14:34.183 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:14:34.240 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:14:34.788 CEST 2019: Structure is used: true
Mon May 06 23:14:34.820 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/22/B10.mol
Mon May 06 23:14:34.820 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.58 s.
Mon May 06 23:14:34.851 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:14:34.851 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:14:34.866 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:14:34.866 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:14:34.890 CEST 2019: Spectrum is suppressed.
Mon May 06 23:14:34.890 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:14:34.905 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:14:34.905 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:14:34.921 CEST 2019: Expected impurity: TSP
Mon May 06 23:14:34.937 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:14:34.952 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 23:14:34.952 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 23:14:34.968 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:14:34.983 CEST 2019: RMSD noise: 712.046 (-0.203/-0.703)
Mon May 06 23:14:34.983 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:14:34.999 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:14:35.015 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:14:35.062 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 23:14:35.235 CEST 2019: Number of Peaks: (44, 14)
Mon May 06 23:14:35.235 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Mon May 06 23:14:35.250 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:14:35.266 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:14:35.266 CEST 2019: Signal-to-Noise ratio: 2788.47 (3.907 ppm)
Mon May 06 23:14:35.282 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:14:35.297 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:14:35.297 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.47 s.
Mon May 06 23:14:35.360 CEST 2019: Number of Multiplets: 108
Mon May 06 23:14:35.391 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 06 23:14:35.470 CEST 2019: Number of Peak Cluster: 14
Mon May 06 23:14:35.470 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 06 23:14:35.658 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Mon May 06 23:14:36.003 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon May 06 23:14:36.019 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:14:36.034 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:14:36.050 CEST 2019: Number of consistent PNS: 4
Mon May 06 23:14:36.065 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:14:36.081 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:14:45.781 CEST 2019: Number of ASL: 380
Mon May 06 23:14:45.797 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 9.71 s.
Mon May 06 23:14:46.220 CEST 2019: Elapsed time for evaluation (IN Suite): 0.41 s.
Mon May 06 23:14:46.251 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:14:46.267 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:14:47.052 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Mon May 06 23:14:47.068 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:14:47.099 CEST 2019: CMC-q finished in 13.04 s.
