Wed May 08 09:14:04.538 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:14:04.538 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_8\1\pdata\1
Wed May 08 09:14:04.569 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:14:04.569 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:14:04.586 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:14:04.602 CEST 2019: No HSQC data available
Wed May 08 09:14:04.617 CEST 2019: No C13 data available
Wed May 08 09:14:04.633 CEST 2019: No HMBC data available
Wed May 08 09:14:04.649 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:14:04.680 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:14:05.262 CEST 2019: Structure is used: true
Wed May 08 09:14:05.277 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_8/1/57.mol
Wed May 08 09:14:05.293 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.60 s.
Wed May 08 09:14:05.309 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:14:05.309 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:14:05.324 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:14:05.324 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:14:05.341 CEST 2019: Spectrum is suppressed.
Wed May 08 09:14:05.341 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:14:05.357 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:14:05.357 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:14:05.373 CEST 2019: Expected impurity: TSP
Wed May 08 09:14:05.373 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:14:05.388 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 09:14:05.388 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 09:14:05.404 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:14:05.407 CEST 2019: RMSD noise: 697.543 (10.704/10.204)
Wed May 08 09:14:05.407 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:14:05.423 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:14:05.439 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:14:05.470 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:14:05.626 CEST 2019: Number of Peaks: (46, 7)
Wed May 08 09:14:05.642 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Wed May 08 09:14:05.642 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:14:05.657 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:14:05.657 CEST 2019: Signal-to-Noise ratio: 321.27 (2.227 ppm)
Wed May 08 09:14:05.673 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:14:05.673 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:14:05.688 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Wed May 08 09:14:05.720 CEST 2019: Number of Multiplets: 91
Wed May 08 09:14:05.735 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:14:05.798 CEST 2019: Number of Peak Cluster: 17
Wed May 08 09:14:05.813 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 09:14:05.877 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 09:14:06.160 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Wed May 08 09:14:06.192 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:14:06.192 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:14:06.208 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:14:06.226 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:14:06.242 CEST 2019: Number of consistent PNS: 30
Wed May 08 09:14:06.242 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:14:06.257 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:14:06.273 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:14:06.898 CEST 2019: Elapsed time for evaluation (BU Suite): 0.68 s.
Wed May 08 09:14:06.929 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:14:06.929 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:14:07.538 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Wed May 08 09:14:07.538 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:14:07.554 CEST 2019: CMC-q finished in 3.02 s.
