Mon May 13 14:16:10.272 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:16:10.282 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_G05\1\pdata\1
Mon May 13 14:16:10.307 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:16:10.317 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:16:10.327 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:16:10.356 CEST 2019: No HSQC data available
Mon May 13 14:16:10.376 CEST 2019: No C13 data available
Mon May 13 14:16:10.402 CEST 2019: No HMBC data available
Mon May 13 14:16:10.417 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:16:10.467 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:16:11.071 CEST 2019: Structure is used: true
Mon May 13 14:16:11.107 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_G05/1/0110705971.mol
Mon May 13 14:16:11.122 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.64 s.
Mon May 13 14:16:11.137 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:16:11.147 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:16:11.157 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:16:11.172 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:16:11.177 CEST 2019: Spectrum is suppressed.
Mon May 13 14:16:11.196 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:16:11.196 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:16:11.207 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:16:11.227 CEST 2019: Expected impurity: TSP
Mon May 13 14:16:11.237 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:16:11.252 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 14:16:11.257 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 14:16:11.267 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:16:11.276 CEST 2019: RMSD noise: 652.481 (10.704/10.204)
Mon May 13 14:16:11.291 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:16:11.297 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:16:11.317 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:16:11.367 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:16:11.697 CEST 2019: Number of Peaks: (80, 19)
Mon May 13 14:16:11.707 CEST 2019: Elapsed time for evaluation (PP Suite): 0.33 s.
Mon May 13 14:16:11.717 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:16:11.727 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:16:11.737 CEST 2019: Signal-to-Noise ratio: 952.24 (3.301 ppm)
Mon May 13 14:16:11.747 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:16:11.761 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:16:11.766 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.64 s.
Mon May 13 14:16:11.857 CEST 2019: Number of Multiplets: 174
Mon May 13 14:16:11.867 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Mon May 13 14:16:12.043 CEST 2019: Number of Peak Cluster: 20
Mon May 13 14:16:12.047 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.17 s.
Mon May 13 14:16:12.116 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Mon May 13 14:16:12.620 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.50 s.
Mon May 13 14:16:12.678 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon May 13 14:16:12.697 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:16:12.709 CEST 2019: Number of consistent PNS: 0
Mon May 13 14:16:12.719 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:16:12.741 CEST 2019: Number of consistent PNS: 35
Mon May 13 14:16:12.752 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:16:12.780 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 13 14:16:12.790 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:16:15.010 CEST 2019: Elapsed time for evaluation (BU Suite): 2.29 s.
Mon May 13 14:16:15.038 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:16:15.049 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 14:16:15.827 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Mon May 13 14:16:15.836 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:16:15.847 CEST 2019: CMC-q finished in 5.58 s.
