Mon May 06 23:28:17.089 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:28:17.089 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\73\pdata\1
Mon May 06 23:28:17.105 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:28:17.121 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:28:17.151 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:28:17.167 CEST 2019: No HSQC data available
Mon May 06 23:28:17.190 CEST 2019: No C13 data available
Mon May 06 23:28:17.205 CEST 2019: No HMBC data available
Mon May 06 23:28:17.221 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:28:17.268 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:28:17.853 CEST 2019: Structure is used: true
Mon May 06 23:28:17.891 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/73/G01.mol
Mon May 06 23:28:17.907 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.62 s.
Mon May 06 23:28:17.922 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:28:17.938 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:28:17.938 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:28:17.953 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:28:17.969 CEST 2019: Spectrum is suppressed.
Mon May 06 23:28:17.969 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:28:17.985 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:28:17.991 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:28:18.007 CEST 2019: Expected impurity: TSP
Mon May 06 23:28:18.022 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:28:18.022 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 23:28:18.038 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 23:28:18.054 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:28:18.054 CEST 2019: RMSD noise: 690.590 (8.280/7.780)
Mon May 06 23:28:18.069 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:28:18.085 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:28:18.092 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:28:18.161 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Mon May 06 23:28:18.292 CEST 2019: Number of Peaks: (25, 4)
Mon May 06 23:28:18.308 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon May 06 23:28:18.325 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:28:18.325 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:28:18.340 CEST 2019: Signal-to-Noise ratio: 614.94 (3.801 ppm)
Mon May 06 23:28:18.340 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:28:18.356 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:28:18.371 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Mon May 06 23:28:18.392 CEST 2019: Number of Multiplets: 53
Mon May 06 23:28:18.408 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 06 23:28:18.469 CEST 2019: Number of Peak Cluster: 10
Mon May 06 23:28:18.485 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 06 23:28:18.605 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Mon May 06 23:28:18.937 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Mon May 06 23:28:18.969 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:28:18.979 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:28:18.997 CEST 2019: Number of consistent PNS: 4
Mon May 06 23:28:19.009 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:28:19.019 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:28:19.568 CEST 2019: Number of ASL: 176
Mon May 06 23:28:19.580 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.55 s.
Mon May 06 23:28:20.119 CEST 2019: Elapsed time for evaluation (IN Suite): 0.53 s.
Mon May 06 23:28:20.149 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:28:20.157 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:28:20.938 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Mon May 06 23:28:20.950 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:28:20.961 CEST 2019: CMC-q finished in 3.87 s.
