Mon May 06 23:29:38.389 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:29:38.405 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\79\pdata\1
Mon May 06 23:29:38.411 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:29:38.427 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:29:38.443 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:29:38.458 CEST 2019: No HSQC data available
Mon May 06 23:29:38.474 CEST 2019: No C13 data available
Mon May 06 23:29:38.505 CEST 2019: No HMBC data available
Mon May 06 23:29:38.512 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:29:38.568 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:29:39.211 CEST 2019: Structure is used: true
Mon May 06 23:29:39.239 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/79/G07.mol
Mon May 06 23:29:39.251 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.67 s.
Mon May 06 23:29:39.271 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:29:39.280 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:29:39.292 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:29:39.300 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:29:39.312 CEST 2019: Spectrum is suppressed.
Mon May 06 23:29:39.320 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:29:39.332 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:29:39.342 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:29:39.353 CEST 2019: Expected impurity: TSP
Mon May 06 23:29:39.361 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:29:39.373 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 23:29:39.383 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 23:29:39.393 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:29:39.401 CEST 2019: RMSD noise: 653.869 (5.856/5.357)
Mon May 06 23:29:39.413 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:29:39.423 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:29:39.442 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:29:39.484 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 23:29:39.717 CEST 2019: Number of Peaks: (62, 12)
Mon May 06 23:29:39.742 CEST 2019: Elapsed time for evaluation (PP Suite): 0.25 s.
Mon May 06 23:29:39.748 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:29:39.758 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:29:39.766 CEST 2019: Signal-to-Noise ratio: 863.41 (7.204 ppm)
Mon May 06 23:29:39.786 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:29:39.796 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:29:39.806 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Mon May 06 23:29:39.879 CEST 2019: Number of Multiplets: 160
Mon May 06 23:29:39.887 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon May 06 23:29:40.009 CEST 2019: Number of Peak Cluster: 22
Mon May 06 23:29:40.021 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 06 23:29:40.251 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.22 s.
Mon May 06 23:29:40.738 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.47 s.
Mon May 06 23:29:40.750 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:29:40.768 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:29:40.778 CEST 2019: Number of consistent PNS: 2
Mon May 06 23:29:40.798 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:29:40.819 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:29:43.392 CEST 2019: Number of ASL: 63
Mon May 06 23:29:43.408 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 2.59 s.
Mon May 06 23:29:44.363 CEST 2019: Elapsed time for evaluation (IN Suite): 0.94 s.
Mon May 06 23:29:44.395 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:29:44.410 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:29:45.161 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Mon May 06 23:29:45.161 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:29:45.177 CEST 2019: CMC-q finished in 6.79 s.
