Wed May 08 10:55:39.775 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:55:39.775 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_52\1\pdata\1
Wed May 08 10:55:39.806 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:55:39.821 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:55:39.821 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:55:39.868 CEST 2019: No HSQC data available
Wed May 08 10:55:39.915 CEST 2019: No C13 data available
Wed May 08 10:55:39.946 CEST 2019: No HMBC data available
Wed May 08 10:55:39.962 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:55:40.009 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:55:40.604 CEST 2019: Structure is used: true
Wed May 08 10:55:40.635 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_52/1/E04.mol
Wed May 08 10:55:40.635 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.62 s.
Wed May 08 10:55:40.667 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:55:40.683 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:55:40.683 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:55:40.699 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:55:40.699 CEST 2019: Spectrum is suppressed.
Wed May 08 10:55:40.714 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:55:40.730 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:55:40.730 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:55:40.745 CEST 2019: Expected impurity: TSP
Wed May 08 10:55:40.761 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:55:40.761 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 10:55:40.777 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 10:55:40.792 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:55:40.792 CEST 2019: RMSD noise: 693.246 (10.098/9.598)
Wed May 08 10:55:40.808 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:55:40.808 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:55:40.824 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:55:40.872 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:55:41.123 CEST 2019: Number of Peaks: (65, 13)
Wed May 08 10:55:41.154 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Wed May 08 10:55:41.154 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:55:41.171 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:55:41.187 CEST 2019: Signal-to-Noise ratio: 4663.22 (1.010 ppm)
Wed May 08 10:55:41.187 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:55:41.202 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:55:41.218 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Wed May 08 10:55:41.281 CEST 2019: Number of Multiplets: 118
Wed May 08 10:55:41.281 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 10:55:41.405 CEST 2019: Number of Peak Cluster: 22
Wed May 08 10:55:41.421 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 10:55:41.499 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Wed May 08 10:55:41.944 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.43 s.
Wed May 08 10:55:41.975 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Wed May 08 10:55:42.006 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 10:55:42.022 CEST 2019: Number of consistent PNS: 5
Wed May 08 10:55:42.022 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:55:42.038 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:55:42.084 CEST 2019: Number of ASL: 4
Wed May 08 10:55:42.084 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Wed May 08 10:55:42.272 CEST 2019: Elapsed time for evaluation (IN Suite): 0.17 s.
Wed May 08 10:55:42.304 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:55:42.304 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:55:43.087 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 10:55:43.103 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:55:43.103 CEST 2019: CMC-q finished in 3.33 s.
