Wed May 08 09:32:41.206 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:32:41.221 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_79\1\pdata\1
Wed May 08 09:32:41.237 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:32:41.253 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:32:41.253 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:32:41.284 CEST 2019: No HSQC data available
Wed May 08 09:32:41.300 CEST 2019: No C13 data available
Wed May 08 09:32:41.315 CEST 2019: No HMBC data available
Wed May 08 09:32:41.331 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:32:41.362 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:32:41.838 CEST 2019: Structure is used: true
Wed May 08 09:32:41.853 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_79/1/55.mol
Wed May 08 09:32:41.869 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.49 s.
Wed May 08 09:32:41.884 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:32:41.884 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:32:41.900 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:32:41.900 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:32:41.916 CEST 2019: Spectrum is suppressed.
Wed May 08 09:32:41.916 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:32:41.931 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:32:41.931 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:32:41.948 CEST 2019: Expected impurity: TSP
Wed May 08 09:32:41.964 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:32:41.964 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 09:32:41.980 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 09:32:41.980 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:32:41.995 CEST 2019: RMSD noise: 684.273 (10.098/9.598)
Wed May 08 09:32:41.995 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:32:42.011 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:32:42.011 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:32:42.058 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:32:42.293 CEST 2019: Number of Peaks: (81, 16)
Wed May 08 09:32:42.309 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Wed May 08 09:32:42.309 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:32:42.325 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:32:42.325 CEST 2019: Signal-to-Noise ratio: 1237.44 (3.567 ppm)
Wed May 08 09:32:42.340 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:32:42.340 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:32:42.356 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.48 s.
Wed May 08 09:32:42.403 CEST 2019: Number of Multiplets: 128
Wed May 08 09:32:42.419 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 09:32:42.996 CEST 2019: Number of Peak Cluster: 28
Wed May 08 09:32:43.012 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.58 s.
Wed May 08 09:32:43.043 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 09:32:43.528 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.48 s.
Wed May 08 09:32:43.565 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:32:43.581 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 09:32:43.581 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:32:43.597 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:32:43.612 CEST 2019: Number of consistent PNS: 45
Wed May 08 09:32:43.628 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:32:43.644 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:32:43.644 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:32:44.816 CEST 2019: Elapsed time for evaluation (BU Suite): 1.21 s.
Wed May 08 09:32:44.832 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:32:44.848 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:32:45.379 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.56 s.
Wed May 08 09:32:45.394 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:32:45.394 CEST 2019: CMC-q finished in 4.19 s.
