Mon May 13 13:57:16.299 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:57:16.309 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_B01\1\pdata\1
Mon May 13 13:57:16.339 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:57:16.349 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:57:16.359 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:57:16.389 CEST 2019: No HSQC data available
Mon May 13 13:57:16.409 CEST 2019: No C13 data available
Mon May 13 13:57:16.429 CEST 2019: No HMBC data available
Mon May 13 13:57:16.449 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:57:16.499 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:57:16.859 CEST 2019: Structure is used: true
Mon May 13 13:57:16.899 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_B01/1/0110706024.mol
Mon May 13 13:57:16.909 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.40 s.
Mon May 13 13:57:16.926 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:57:16.939 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:57:16.946 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:57:16.956 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:57:16.965 CEST 2019: Spectrum is suppressed.
Mon May 13 13:57:16.975 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:57:16.984 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:57:16.989 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:57:17.005 CEST 2019: Expected impurity: TSP
Mon May 13 13:57:17.014 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:57:17.019 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 13:57:17.029 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 13:57:17.039 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:57:17.049 CEST 2019: RMSD noise: 704.074 (10.704/10.204)
Mon May 13 13:57:17.059 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:57:17.069 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:57:17.079 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:57:17.124 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:57:17.314 CEST 2019: Number of Peaks: (55, 10)
Mon May 13 13:57:17.332 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 13 13:57:17.339 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:57:17.349 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:57:17.359 CEST 2019: Signal-to-Noise ratio: 6894.63 (2.332 ppm)
Mon May 13 13:57:17.369 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:57:17.373 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:57:17.386 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.47 s.
Mon May 13 13:57:17.436 CEST 2019: Number of Multiplets: 101
Mon May 13 13:57:17.445 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 13:57:17.549 CEST 2019: Number of Peak Cluster: 19
Mon May 13 13:57:17.559 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 13:57:17.759 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Mon May 13 13:57:18.109 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Mon May 13 13:57:18.119 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:57:18.139 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:57:18.159 CEST 2019: Number of consistent PNS: 3
Mon May 13 13:57:18.162 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:57:18.189 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:57:18.219 CEST 2019: Number of ASL: 5
Mon May 13 13:57:18.229 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon May 13 13:57:18.779 CEST 2019: Elapsed time for evaluation (IN Suite): 0.55 s.
Mon May 13 13:57:18.829 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:57:18.839 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:57:19.459 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.64 s.
Mon May 13 13:57:19.469 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:57:19.479 CEST 2019: CMC-q finished in 3.18 s.
