Wed May 08 09:13:12.295 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:13:12.295 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_4\1\pdata\1
Wed May 08 09:13:12.311 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:13:12.326 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:13:12.342 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:13:12.358 CEST 2019: No HSQC data available
Wed May 08 09:13:12.375 CEST 2019: No C13 data available
Wed May 08 09:13:12.390 CEST 2019: No HMBC data available
Wed May 08 09:13:12.390 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:13:12.453 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 09:13:13.157 CEST 2019: Structure is used: true
Wed May 08 09:13:13.157 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_4/1/25.mol
Wed May 08 09:13:13.173 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.70 s.
Wed May 08 09:13:13.188 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:13:13.188 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:13:13.204 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:13:13.204 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:13:13.219 CEST 2019: Spectrum is suppressed.
Wed May 08 09:13:13.219 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:13:13.235 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:13:13.235 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:13:13.251 CEST 2019: Expected impurity: TSP
Wed May 08 09:13:13.266 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:13:13.266 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 09:13:13.282 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 09:13:13.282 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:13:13.298 CEST 2019: RMSD noise: 716.590 (0.403/-0.097)
Wed May 08 09:13:13.298 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:13:13.313 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:13:13.313 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:13:13.360 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:13:13.547 CEST 2019: Number of Peaks: (58, 32)
Wed May 08 09:13:13.563 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Wed May 08 09:13:13.579 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:13:13.579 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:13:13.594 CEST 2019: Signal-to-Noise ratio: 1983.57 (2.061 ppm)
Wed May 08 09:13:13.594 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:13:13.610 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:13:13.610 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Wed May 08 09:13:13.657 CEST 2019: Number of Multiplets: 130
Wed May 08 09:13:13.672 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 09:13:13.752 CEST 2019: Number of Peak Cluster: 17
Wed May 08 09:13:13.768 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:13:13.799 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 09:13:14.097 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Wed May 08 09:13:14.113 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:13:14.130 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:13:14.146 CEST 2019: Number of consistent PNS: 4
Wed May 08 09:13:14.146 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:13:14.161 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:13:17.548 CEST 2019: Number of ASL: 180
Wed May 08 09:13:17.564 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.39 s.
Wed May 08 09:13:18.332 CEST 2019: Elapsed time for evaluation (IN Suite): 0.76 s.
Wed May 08 09:13:18.348 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:13:18.363 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:13:18.988 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.66 s.
Wed May 08 09:13:19.004 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:13:19.004 CEST 2019: CMC-q finished in 6.71 s.
