Mon May 06 23:21:02.155 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:21:02.171 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\46\pdata\1
Mon May 06 23:21:02.187 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:21:02.202 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:21:02.218 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:21:02.233 CEST 2019: No HSQC data available
Mon May 06 23:21:02.249 CEST 2019: No C13 data available
Mon May 06 23:21:02.280 CEST 2019: No HMBC data available
Mon May 06 23:21:02.296 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:21:02.343 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:21:02.703 CEST 2019: Structure is used: true
Mon May 06 23:21:02.735 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/46/D10.mol
Mon May 06 23:21:02.750 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.40 s.
Mon May 06 23:21:02.766 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:21:02.766 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:21:02.781 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:21:02.797 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:21:02.797 CEST 2019: Spectrum is suppressed.
Mon May 06 23:21:02.813 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:21:02.828 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:21:02.828 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:21:02.844 CEST 2019: Expected impurity: TSP
Mon May 06 23:21:02.860 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:21:02.860 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 23:21:02.875 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 23:21:02.891 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:21:02.902 CEST 2019: RMSD noise: 630.697 (-0.812/-1.312)
Mon May 06 23:21:02.903 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:21:02.918 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:21:02.934 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:21:02.965 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:21:03.185 CEST 2019: Number of Peaks: (57, 10)
Mon May 06 23:21:03.201 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Mon May 06 23:21:03.232 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:21:03.232 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:21:03.248 CEST 2019: Signal-to-Noise ratio: 3764.16 (3.863 ppm)
Mon May 06 23:21:03.248 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:21:03.263 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:21:03.279 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Mon May 06 23:21:03.310 CEST 2019: Number of Multiplets: 88
Mon May 06 23:21:03.326 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:21:03.435 CEST 2019: Number of Peak Cluster: 27
Mon May 06 23:21:03.435 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 06 23:21:03.513 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 06 23:21:03.888 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Mon May 06 23:21:03.919 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:21:03.935 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 23:21:03.951 CEST 2019: Number of consistent PNS: 5
Mon May 06 23:21:03.966 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:21:03.982 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:21:04.029 CEST 2019: Number of ASL: 16
Mon May 06 23:21:04.044 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Mon May 06 23:21:04.138 CEST 2019: Elapsed time for evaluation (IN Suite): 0.08 s.
Mon May 06 23:21:04.169 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:21:04.169 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:21:04.891 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.74 s.
Mon May 06 23:21:04.906 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:21:04.906 CEST 2019: CMC-q finished in 2.75 s.
