Wed May 08 11:54:22.906 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:54:22.916 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_25\1\pdata\1
Wed May 08 11:54:22.947 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:54:22.955 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:54:22.967 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:54:22.995 CEST 2019: No HSQC data available
Wed May 08 11:54:23.018 CEST 2019: No C13 data available
Wed May 08 11:54:23.038 CEST 2019: No HMBC data available
Wed May 08 11:54:23.056 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:54:23.119 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:54:23.747 CEST 2019: Structure is used: true
Wed May 08 11:54:23.777 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_25/1/C01.mol
Wed May 08 11:54:23.787 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.66 s.
Wed May 08 11:54:23.816 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:54:23.828 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:54:23.838 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:54:23.846 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:54:23.858 CEST 2019: Spectrum is suppressed.
Wed May 08 11:54:23.868 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:54:23.878 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:54:23.888 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:54:23.899 CEST 2019: Expected impurity: TSP
Wed May 08 11:54:23.909 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:54:23.919 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 11:54:23.929 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 11:54:23.939 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:54:23.949 CEST 2019: RMSD noise: 662.290 (10.098/9.598)
Wed May 08 11:54:23.968 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:54:23.980 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:54:23.988 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:54:24.038 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:54:24.172 CEST 2019: Number of Peaks: (20, 7)
Wed May 08 11:54:24.182 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Wed May 08 11:54:24.192 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:54:24.202 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:54:24.212 CEST 2019: Signal-to-Noise ratio: 18.89 (1.327 ppm)
Wed May 08 11:54:24.230 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:54:24.240 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:54:24.250 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Wed May 08 11:54:24.264 CEST 2019: CMC-assist project state: AutoGiveup
Wed May 08 11:54:24.270 CEST 2019: Initial Check Not Passed! GIVE_UP: SINO 
Wed May 08 11:54:24.303 CEST 2019: GIVE_UP: SINO
Wed May 08 11:54:24.362 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.10 s.
Wed May 08 11:54:24.362 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:54:24.378 CEST 2019: CMC-q finished in 1.47 s.