Wed May 08 09:31:58.932 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:31:58.947 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_76\1\pdata\1
Wed May 08 09:31:58.963 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:31:58.979 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:31:58.979 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:31:58.994 CEST 2019: No HSQC data available
Wed May 08 09:31:59.026 CEST 2019: No C13 data available
Wed May 08 09:31:59.041 CEST 2019: No HMBC data available
Wed May 08 09:31:59.041 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:31:59.088 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:31:59.839 CEST 2019: Structure is used: true
Wed May 08 09:31:59.872 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_76/1/31.mol
Wed May 08 09:31:59.872 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.78 s.
Wed May 08 09:31:59.887 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:31:59.903 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:31:59.903 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:31:59.919 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:31:59.919 CEST 2019: Spectrum is suppressed.
Wed May 08 09:31:59.934 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:31:59.934 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:31:59.950 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:31:59.950 CEST 2019: Expected impurity: TSP
Wed May 08 09:31:59.965 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:31:59.965 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 09:31:59.981 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 09:31:59.981 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:31:59.997 CEST 2019: RMSD noise: 704.628 (6.462/5.963)
Wed May 08 09:31:59.997 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:32:00.012 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:32:00.028 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:32:00.061 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:32:00.234 CEST 2019: Number of Peaks: (59, 5)
Wed May 08 09:32:00.234 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Wed May 08 09:32:00.250 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:32:00.250 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:32:00.265 CEST 2019: Signal-to-Noise ratio: 203.86 (3.270 ppm)
Wed May 08 09:32:00.265 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:32:00.281 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:32:00.281 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.40 s.
Wed May 08 09:32:00.328 CEST 2019: Number of Multiplets: 127
Wed May 08 09:32:00.343 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:32:00.423 CEST 2019: Number of Peak Cluster: 20
Wed May 08 09:32:00.438 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 09:32:00.579 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.14 s.
Wed May 08 09:32:00.924 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Wed May 08 09:32:00.957 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:32:00.972 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:32:00.972 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:32:00.988 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:32:01.004 CEST 2019: Number of consistent PNS: 55
Wed May 08 09:32:01.019 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:32:01.035 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 09:32:01.050 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:32:01.725 CEST 2019: Elapsed time for evaluation (BU Suite): 0.73 s.
Wed May 08 09:32:01.741 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:32:01.756 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:32:02.337 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Wed May 08 09:32:02.353 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:32:02.368 CEST 2019: CMC-q finished in 3.42 s.
