Mon May 13 13:26:51.603 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:26:51.613 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_A09\1\pdata\1
Mon May 13 13:26:51.633 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:26:51.643 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:26:51.653 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:26:51.673 CEST 2019: No HSQC data available
Mon May 13 13:26:51.694 CEST 2019: No C13 data available
Mon May 13 13:26:51.713 CEST 2019: No HMBC data available
Mon May 13 13:26:51.723 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:26:51.783 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon May 13 13:26:52.153 CEST 2019: Structure is used: true
Mon May 13 13:26:52.153 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_A09/1/0110705847.mol
Mon May 13 13:26:52.163 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.37 s.
Mon May 13 13:26:52.183 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:26:52.184 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:26:52.195 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:26:52.203 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:26:52.213 CEST 2019: Spectrum is suppressed.
Mon May 13 13:26:52.213 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:26:52.223 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:26:52.233 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:26:52.243 CEST 2019: Expected impurity: TSP
Mon May 13 13:26:52.253 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:26:52.263 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 13:26:52.273 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 13:26:52.273 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:26:52.283 CEST 2019: RMSD noise: 676.671 (5.250/4.751)
Mon May 13 13:26:52.295 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:26:52.313 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.01 s.
Mon May 13 13:26:52.333 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:26:52.363 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:26:52.563 CEST 2019: Number of Peaks: (61, 8)
Mon May 13 13:26:52.573 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:26:52.573 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:26:52.583 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:26:52.595 CEST 2019: Signal-to-Noise ratio: 13035.79 (1.474 ppm)
Mon May 13 13:26:52.603 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:26:52.613 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:26:52.613 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Mon May 13 13:26:52.688 CEST 2019: Number of Multiplets: 137
Mon May 13 13:26:52.695 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 13 13:26:52.773 CEST 2019: Number of Peak Cluster: 17
Mon May 13 13:26:52.783 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 13:26:52.833 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon May 13 13:26:53.143 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Mon May 13 13:26:53.163 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:26:53.179 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:26:53.183 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:26:53.195 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:26:53.213 CEST 2019: Number of consistent PNS: 15
Mon May 13 13:26:53.213 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:26:53.243 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:26:53.253 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:26:54.373 CEST 2019: Elapsed time for evaluation (BU Suite): 1.17 s.
Mon May 13 13:26:54.397 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:26:54.403 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:26:54.953 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.57 s.
Mon May 13 13:26:54.963 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:26:54.963 CEST 2019: CMC-q finished in 3.36 s.
