Wed May 08 09:13:52.701 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:13:52.701 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_7\1\pdata\1
Wed May 08 09:13:52.717 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:13:52.732 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:13:52.748 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:13:52.764 CEST 2019: No HSQC data available
Wed May 08 09:13:52.779 CEST 2019: No C13 data available
Wed May 08 09:13:52.795 CEST 2019: No HMBC data available
Wed May 08 09:13:52.810 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:13:52.843 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:13:53.272 CEST 2019: Structure is used: true
Wed May 08 09:13:53.304 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_7/1/49.mol
Wed May 08 09:13:53.304 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.44 s.
Wed May 08 09:13:53.319 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:13:53.319 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:13:53.335 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:13:53.335 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:13:53.350 CEST 2019: Spectrum is suppressed.
Wed May 08 09:13:53.350 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:13:53.366 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:13:53.366 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:13:53.382 CEST 2019: Expected impurity: TSP
Wed May 08 09:13:53.397 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:13:53.397 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 09:13:53.397 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 09:13:53.413 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:13:53.413 CEST 2019: RMSD noise: 683.356 (10.098/9.598)
Wed May 08 09:13:53.429 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:13:53.429 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:13:53.444 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:13:53.475 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:13:53.647 CEST 2019: Number of Peaks: (52, 12)
Wed May 08 09:13:53.678 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 09:13:53.678 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:13:53.694 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:13:53.694 CEST 2019: Signal-to-Noise ratio: 3697.04 (2.997 ppm)
Wed May 08 09:13:53.710 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:13:53.710 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:13:53.710 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.41 s.
Wed May 08 09:13:53.757 CEST 2019: Number of Multiplets: 80
Wed May 08 09:13:53.757 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:13:53.835 CEST 2019: Number of Peak Cluster: 21
Wed May 08 09:13:53.850 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:13:53.897 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Wed May 08 09:13:54.225 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Wed May 08 09:13:54.241 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:13:54.256 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:13:54.256 CEST 2019: Number of consistent PNS: 4
Wed May 08 09:13:54.272 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:13:54.288 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:13:54.350 CEST 2019: Number of ASL: 24
Wed May 08 09:13:54.350 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Wed May 08 09:13:54.616 CEST 2019: Elapsed time for evaluation (IN Suite): 0.25 s.
Wed May 08 09:13:54.631 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:13:54.647 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:13:55.194 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.56 s.
Wed May 08 09:13:55.194 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:13:55.209 CEST 2019: CMC-q finished in 2.51 s.
