Mon May 06 22:49:15.178 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:49:15.194 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\38\pdata\1
Mon May 06 22:49:15.209 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:49:15.225 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:49:15.240 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:49:15.272 CEST 2019: No HSQC data available
Mon May 06 22:49:15.287 CEST 2019: No C13 data available
Mon May 06 22:49:15.319 CEST 2019: No HMBC data available
Mon May 06 22:49:15.319 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:49:15.397 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon May 06 22:49:15.994 CEST 2019: Structure is used: true
Mon May 06 22:49:15.994 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/38/D02.mol
Mon May 06 22:49:16.010 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.61 s.
Mon May 06 22:49:16.026 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:49:16.041 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:49:16.057 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:49:16.057 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:49:16.073 CEST 2019: Spectrum is suppressed.
Mon May 06 22:49:16.073 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:49:16.088 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:49:16.104 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:49:16.119 CEST 2019: Expected impurity: TSP
Mon May 06 22:49:16.119 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:49:16.135 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 22:49:16.151 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 22:49:16.151 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:49:16.166 CEST 2019: RMSD noise: 713.643 (-0.203/-0.703)
Mon May 06 22:49:16.182 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:49:16.182 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:49:16.198 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:49:16.260 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 22:49:16.463 CEST 2019: Number of Peaks: (43, 10)
Mon May 06 22:49:16.510 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Mon May 06 22:49:16.510 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:49:16.526 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:49:16.541 CEST 2019: Signal-to-Noise ratio: 5001.65 (1.254 ppm)
Mon May 06 22:49:16.541 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:49:16.557 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:49:16.572 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.55 s.
Mon May 06 22:49:16.619 CEST 2019: Number of Multiplets: 87
Mon May 06 22:49:16.635 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 06 22:49:16.711 CEST 2019: Number of Peak Cluster: 11
Mon May 06 22:49:16.711 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 06 22:49:16.820 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 06 22:49:17.214 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 06 22:49:17.229 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 22:49:17.246 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:49:17.262 CEST 2019: Number of consistent PNS: 2
Mon May 06 22:49:17.262 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:49:17.277 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 22:49:17.746 CEST 2019: Number of ASL: 252
Mon May 06 22:49:17.762 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.48 s.
Mon May 06 22:49:18.513 CEST 2019: Elapsed time for evaluation (IN Suite): 0.74 s.
Mon May 06 22:49:18.544 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:49:18.560 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:49:19.295 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 06 22:49:19.311 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:49:19.327 CEST 2019: CMC-q finished in 4.15 s.
