Mon May 13 14:11:49.977 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:11:49.987 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_F02\1\pdata\1
Mon May 13 14:11:50.012 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:11:50.017 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:11:50.037 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:11:50.062 CEST 2019: No HSQC data available
Mon May 13 14:11:50.077 CEST 2019: No C13 data available
Mon May 13 14:11:50.107 CEST 2019: No HMBC data available
Mon May 13 14:11:50.117 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:11:50.177 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:11:50.642 CEST 2019: Structure is used: true
Mon May 13 14:11:50.692 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_F02/1/0110705977.mol
Mon May 13 14:11:50.697 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.51 s.
Mon May 13 14:11:50.717 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:11:50.727 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:11:50.742 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:11:50.752 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:11:50.762 CEST 2019: Spectrum is suppressed.
Mon May 13 14:11:50.767 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:11:50.777 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:11:50.792 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:11:50.807 CEST 2019: Expected impurity: TSP
Mon May 13 14:11:50.817 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:11:50.827 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]
Mon May 13 14:11:50.837 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]
Mon May 13 14:11:50.847 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:11:50.857 CEST 2019: RMSD noise: 641.361 (10.704/10.204)
Mon May 13 14:11:50.867 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:11:50.877 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:11:50.892 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:11:50.937 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:11:51.152 CEST 2019: Number of Peaks: (43, 13)
Mon May 13 14:11:51.167 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Mon May 13 14:11:51.177 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:11:51.187 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:11:51.197 CEST 2019: Signal-to-Noise ratio: 1733.21 (3.862 ppm)
Mon May 13 14:11:51.207 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:11:51.217 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:11:51.227 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Mon May 13 14:11:51.257 CEST 2019: Number of Multiplets: 73
Mon May 13 14:11:51.267 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 14:11:51.347 CEST 2019: Number of Peak Cluster: 19
Mon May 13 14:11:51.357 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 14:11:51.457 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 13 14:11:51.842 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 13 14:11:51.880 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:11:51.892 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:11:51.907 CEST 2019: Number of consistent PNS: 4
Mon May 13 14:11:51.917 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:11:51.932 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:11:52.077 CEST 2019: Number of ASL: 6
Mon May 13 14:11:52.087 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.15 s.
Mon May 13 14:11:52.517 CEST 2019: Elapsed time for evaluation (IN Suite): 0.42 s.
Mon May 13 14:11:52.537 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:11:52.547 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:11:53.357 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Mon May 13 14:11:53.367 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:11:53.382 CEST 2019: CMC-q finished in 3.40 s.
