Mon May 13 14:13:46.027 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:13:46.037 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_F09\1\pdata\1
Mon May 13 14:13:46.061 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:13:46.067 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:13:46.087 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:13:46.112 CEST 2019: No HSQC data available
Mon May 13 14:13:46.137 CEST 2019: No C13 data available
Mon May 13 14:13:46.161 CEST 2019: No HMBC data available
Mon May 13 14:13:46.167 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:13:46.227 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:13:46.722 CEST 2019: Structure is used: true
Mon May 13 14:13:46.761 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_F09/1/0110705984.mol
Mon May 13 14:13:46.777 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.52 s.
Mon May 13 14:13:46.787 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:13:46.807 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:13:46.817 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:13:46.827 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:13:46.837 CEST 2019: Spectrum is suppressed.
Mon May 13 14:13:46.847 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:13:46.857 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:13:46.867 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:13:46.877 CEST 2019: Expected impurity: TSP
Mon May 13 14:13:46.887 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:13:46.897 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 14:13:46.907 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 14:13:46.917 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:13:46.927 CEST 2019: RMSD noise: 686.723 (6.462/5.963)
Mon May 13 14:13:46.937 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:13:46.957 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:13:46.967 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:13:47.017 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:13:47.267 CEST 2019: Number of Peaks: (59, 9)
Mon May 13 14:13:47.287 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Mon May 13 14:13:47.297 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:13:47.307 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:13:47.317 CEST 2019: Signal-to-Noise ratio: 3006.15 (2.081 ppm)
Mon May 13 14:13:47.337 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:13:47.347 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:13:47.357 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.57 s.
Mon May 13 14:13:47.427 CEST 2019: Number of Multiplets: 146
Mon May 13 14:13:47.437 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 13 14:13:47.562 CEST 2019: Number of Peak Cluster: 20
Mon May 13 14:13:47.567 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 13 14:13:47.667 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 13 14:13:48.108 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.44 s.
Mon May 13 14:13:48.129 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:13:48.147 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:13:48.169 CEST 2019: Number of consistent PNS: 4
Mon May 13 14:13:48.177 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:13:48.187 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:13:48.292 CEST 2019: Number of ASL: 48
Mon May 13 14:13:48.297 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.10 s.
Mon May 13 14:13:49.027 CEST 2019: Elapsed time for evaluation (IN Suite): 0.72 s.
Mon May 13 14:13:49.047 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:13:49.057 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:13:49.862 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Mon May 13 14:13:49.867 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:13:49.887 CEST 2019: CMC-q finished in 3.86 s.
