Mon May 13 14:10:20.934 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:10:20.954 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_E08\1\pdata\1
Mon May 13 14:10:20.977 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:10:20.992 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:10:21.002 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:10:21.027 CEST 2019: No HSQC data available
Mon May 13 14:10:21.048 CEST 2019: No C13 data available
Mon May 13 14:10:21.072 CEST 2019: No HMBC data available
Mon May 13 14:10:21.086 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:10:21.139 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:10:21.810 CEST 2019: Structure is used: true
Mon May 13 14:10:21.848 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_E08/1/0110705992.mol
Mon May 13 14:10:21.858 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.71 s.
Mon May 13 14:10:21.877 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:10:21.889 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:10:21.899 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:10:21.907 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:10:21.918 CEST 2019: Spectrum is suppressed.
Mon May 13 14:10:21.927 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:10:21.937 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:10:21.947 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:10:21.963 CEST 2019: Expected impurity: TSP
Mon May 13 14:10:21.971 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:10:21.983 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 14:10:21.993 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 14:10:22.001 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:10:22.013 CEST 2019: RMSD noise: 708.155 (10.098/9.598)
Mon May 13 14:10:22.023 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:10:22.034 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:10:22.047 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:10:22.094 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:10:22.607 CEST 2019: Number of Peaks: (97, 26)
Mon May 13 14:10:22.627 CEST 2019: Elapsed time for evaluation (PP Suite): 0.53 s.
Mon May 13 14:10:22.637 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:10:22.648 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:10:22.657 CEST 2019: Signal-to-Noise ratio: 2229.85 (1.240 ppm)
Mon May 13 14:10:22.667 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:10:22.677 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:10:22.687 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.82 s.
Mon May 13 14:10:23.259 CEST 2019: Number of Multiplets: 230
Mon May 13 14:10:23.267 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.57 s.
Mon May 13 14:10:23.453 CEST 2019: Number of Peak Cluster: 15
Mon May 13 14:10:23.463 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.18 s.
Mon May 13 14:10:23.632 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 13 14:10:24.287 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.65 s.
Mon May 13 14:10:24.356 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.04 s.
Mon May 13 14:10:24.368 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:10:24.397 CEST 2019: Number of consistent PNS: 1
Mon May 13 14:10:24.408 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 13 14:10:24.449 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.03 s.
Mon May 13 14:10:29.201 CEST 2019: Number of ASL: 201
Mon May 13 14:10:29.213 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 4.75 s.
Mon May 13 14:10:33.312 CEST 2019: Elapsed time for evaluation (IN Suite): 4.09 s.
Mon May 13 14:10:33.337 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:10:33.347 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:10:34.178 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Mon May 13 14:10:34.189 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:10:34.199 CEST 2019: CMC-q finished in 13.27 s.
