Wed May 08 09:32:54.785 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:32:54.801 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_80\1\pdata\1
Wed May 08 09:32:54.817 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:32:54.832 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:32:54.832 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:32:54.864 CEST 2019: No HSQC data available
Wed May 08 09:32:54.879 CEST 2019: No C13 data available
Wed May 08 09:32:54.895 CEST 2019: No HMBC data available
Wed May 08 09:32:54.895 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:32:54.942 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:32:55.334 CEST 2019: Structure is used: true
Wed May 08 09:32:55.365 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_80/1/63.mol
Wed May 08 09:32:55.365 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.42 s.
Wed May 08 09:32:55.380 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:32:55.396 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:32:55.396 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:32:55.412 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:32:55.412 CEST 2019: Spectrum is suppressed.
Wed May 08 09:32:55.427 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:32:55.427 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:32:55.443 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:32:55.443 CEST 2019: Expected impurity: TSP
Wed May 08 09:32:55.458 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:32:55.458 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 09:32:55.474 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 09:32:55.474 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:32:55.490 CEST 2019: RMSD noise: 699.781 (8.886/8.386)
Wed May 08 09:32:55.490 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:32:55.505 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:32:55.521 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:32:55.552 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:32:55.896 CEST 2019: Number of Peaks: (84, 36)
Wed May 08 09:32:55.912 CEST 2019: Elapsed time for evaluation (PP Suite): 0.35 s.
Wed May 08 09:32:55.912 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:32:55.927 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:32:55.927 CEST 2019: Signal-to-Noise ratio: 834.62 (3.869 ppm)
Wed May 08 09:32:55.943 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:32:55.943 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:32:55.958 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.58 s.
Wed May 08 09:32:56.224 CEST 2019: Number of Multiplets: 298
Wed May 08 09:32:56.255 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.28 s.
Wed May 08 09:32:56.427 CEST 2019: Number of Peak Cluster: 18
Wed May 08 09:32:56.427 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.17 s.
Wed May 08 09:32:57.258 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.82 s.
Wed May 08 09:32:57.854 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.58 s.
Wed May 08 09:32:57.870 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:32:57.885 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:32:57.901 CEST 2019: Number of consistent PNS: 6
Wed May 08 09:32:57.901 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:32:57.932 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:33:15.554 CEST 2019: Number of ASL: 201
Wed May 08 09:33:15.569 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 17.64 s.
Wed May 08 09:33:18.609 CEST 2019: Elapsed time for evaluation (IN Suite): 3.03 s.
Wed May 08 09:33:18.640 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:33:19.250 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Wed May 08 09:33:19.266 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:33:19.266 CEST 2019: CMC-q finished in 24.48 s.
