Wed May 08 09:21:58.507 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:21:58.522 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_36\1\pdata\1
Wed May 08 09:21:58.538 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:21:58.538 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:21:58.554 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:21:58.569 CEST 2019: No HSQC data available
Wed May 08 09:21:58.585 CEST 2019: No C13 data available
Wed May 08 09:21:58.616 CEST 2019: No HMBC data available
Wed May 08 09:21:58.616 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:21:58.679 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 09:21:59.242 CEST 2019: Structure is used: true
Wed May 08 09:21:59.242 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_36/1/91.mol
Wed May 08 09:21:59.258 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.57 s.
Wed May 08 09:21:59.274 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:21:59.274 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:21:59.289 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:21:59.294 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:21:59.294 CEST 2019: Spectrum is suppressed.
Wed May 08 09:21:59.310 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:21:59.310 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:21:59.326 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:21:59.341 CEST 2019: Expected impurity: TSP
Wed May 08 09:21:59.341 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:21:59.341 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 09:21:59.357 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 09:21:59.357 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:21:59.372 CEST 2019: RMSD noise: 658.780 (8.886/8.386)
Wed May 08 09:21:59.372 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:21:59.388 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:21:59.404 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:21:59.435 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:21:59.639 CEST 2019: Number of Peaks: (63, 13)
Wed May 08 09:21:59.655 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Wed May 08 09:21:59.671 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:21:59.671 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:21:59.686 CEST 2019: Signal-to-Noise ratio: 3168.92 (0.878 ppm)
Wed May 08 09:21:59.686 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:21:59.702 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:21:59.702 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Wed May 08 09:21:59.749 CEST 2019: Number of Multiplets: 118
Wed May 08 09:21:59.764 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 09:21:59.859 CEST 2019: Number of Peak Cluster: 17
Wed May 08 09:21:59.859 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 09:22:00.003 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Wed May 08 09:22:00.332 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Wed May 08 09:22:00.363 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:22:00.363 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:22:00.379 CEST 2019: Number of consistent PNS: 2
Wed May 08 09:22:00.379 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:22:00.394 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:22:04.956 CEST 2019: Number of ASL: 136
Wed May 08 09:22:04.972 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 4.57 s.
Wed May 08 09:22:05.675 CEST 2019: Elapsed time for evaluation (IN Suite): 0.68 s.
Wed May 08 09:22:05.690 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:22:05.706 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:22:06.315 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Wed May 08 09:22:06.315 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:22:06.331 CEST 2019: CMC-q finished in 7.82 s.
