Wed May 08 12:25:29.052 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:25:29.068 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_80\1\pdata\1
Wed May 08 12:25:29.084 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:25:29.099 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:25:29.099 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:25:29.147 CEST 2019: No HSQC data available
Wed May 08 12:25:29.194 CEST 2019: No C13 data available
Wed May 08 12:25:29.241 CEST 2019: No HMBC data available
Wed May 08 12:25:29.241 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:25:29.331 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 12:25:30.051 CEST 2019: Structure is used: true
Wed May 08 12:25:30.067 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_80/1/G08.mol
Wed May 08 12:25:30.082 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.71 s.
Wed May 08 12:25:30.115 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:25:30.131 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:25:30.131 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:25:30.146 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:25:30.146 CEST 2019: Spectrum is suppressed.
Wed May 08 12:25:30.162 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:25:30.177 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:25:30.177 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:25:30.193 CEST 2019: Expected impurity: TSP
Wed May 08 12:25:30.209 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:25:30.226 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]
Wed May 08 12:25:30.226 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]
Wed May 08 12:25:30.241 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 12:25:30.257 CEST 2019: RMSD noise: 656.421 (5.250/4.751)
Wed May 08 12:25:30.257 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:25:30.273 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:25:30.288 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:25:30.335 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 12:25:30.571 CEST 2019: Number of Peaks: (55, 26)
Wed May 08 12:25:30.586 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Wed May 08 12:25:30.586 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:25:30.602 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:25:30.617 CEST 2019: Signal-to-Noise ratio: 3106.70 (2.830 ppm)
Wed May 08 12:25:30.617 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:25:30.633 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:25:30.633 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.55 s.
Wed May 08 12:25:30.680 CEST 2019: Number of Multiplets: 76
Wed May 08 12:25:30.696 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 12:25:30.821 CEST 2019: Number of Peak Cluster: 23
Wed May 08 12:25:30.821 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 12:25:30.898 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Wed May 08 12:25:31.353 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.45 s.
Wed May 08 12:25:31.399 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 12:25:31.415 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 12:25:31.446 CEST 2019: Number of consistent PNS: 7
Wed May 08 12:25:31.446 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 12:25:31.462 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 12:25:41.338 CEST 2019: Number of ASL: 391
Wed May 08 12:25:41.353 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 9.89 s.
Wed May 08 12:25:42.697 CEST 2019: Elapsed time for evaluation (IN Suite): 1.34 s.
Wed May 08 12:25:42.740 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:25:43.429 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.71 s.
Wed May 08 12:25:43.429 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:25:43.444 CEST 2019: CMC-q finished in 14.39 s.
