Mon May 06 22:49:49.322 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:49:49.322 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\40\pdata\1
Mon May 06 22:49:49.353 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:49:49.369 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:49:49.369 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:49:49.400 CEST 2019: No HSQC data available
Mon May 06 22:49:49.416 CEST 2019: No C13 data available
Mon May 06 22:49:49.447 CEST 2019: No HMBC data available
Mon May 06 22:49:49.447 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:49:49.505 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:49:50.288 CEST 2019: Structure is used: true
Mon May 06 22:49:50.319 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/40/D04.mol
Mon May 06 22:49:50.335 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.82 s.
Mon May 06 22:49:50.350 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:49:50.350 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:49:50.366 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:49:50.381 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:49:50.381 CEST 2019: Spectrum is suppressed.
Mon May 06 22:49:50.397 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:49:50.413 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:49:50.413 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:49:50.428 CEST 2019: Expected impurity: TSP
Mon May 06 22:49:50.444 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:49:50.444 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 06 22:49:50.460 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 06 22:49:50.475 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:49:50.475 CEST 2019: RMSD noise: 704.242 (-0.203/-0.703)
Mon May 06 22:49:50.491 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:49:50.506 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:49:50.506 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:49:50.553 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:49:51.084 CEST 2019: Number of Peaks: (95, 35)
Mon May 06 22:49:51.116 CEST 2019: Elapsed time for evaluation (PP Suite): 0.54 s.
Mon May 06 22:49:51.116 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:49:51.131 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:49:51.131 CEST 2019: Signal-to-Noise ratio: 3068.61 (1.021 ppm)
Mon May 06 22:49:51.147 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:49:51.163 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:49:51.163 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.83 s.
Mon May 06 22:49:51.881 CEST 2019: Number of Multiplets: 401
Mon May 06 22:49:51.897 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.72 s.
Mon May 06 22:49:52.194 CEST 2019: Number of Peak Cluster: 17
Mon May 06 22:49:52.209 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.28 s.
Mon May 06 22:49:52.443 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.23 s.
Mon May 06 22:49:53.396 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.94 s.
Mon May 06 22:49:53.412 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 22:49:53.428 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:49:53.818 CEST 2019: Number of consistent PNS: 6
Mon May 06 22:49:53.818 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.38 s.
Mon May 06 22:49:54.865 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 1.04 s.
Mon May 06 22:50:20.526 CEST 2019: Number of ASL: 201
Mon May 06 22:50:20.526 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 25.65 s.
Mon May 06 22:50:24.526 CEST 2019: Elapsed time for evaluation (IN Suite): 3.98 s.
Mon May 06 22:50:24.542 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:50:25.338 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Mon May 06 22:50:25.354 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:50:25.370 CEST 2019: CMC-q finished in 36.05 s.
