Mon May 13 13:24:47.213 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:24:47.232 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_A01\1\pdata\1
Mon May 13 13:24:47.273 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:24:47.283 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:24:47.293 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:24:47.323 CEST 2019: No HSQC data available
Mon May 13 13:24:47.343 CEST 2019: No C13 data available
Mon May 13 13:24:47.363 CEST 2019: No HMBC data available
Mon May 13 13:24:47.373 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:24:47.433 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Mon May 13 13:24:51.503 CEST 2019: Structure is used: true
Mon May 13 13:24:51.537 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_A01/1/0110705855.mol
Mon May 13 13:24:51.543 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 4.10 s.
Mon May 13 13:24:51.573 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:24:51.583 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:24:51.593 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:24:51.603 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:24:51.613 CEST 2019: Spectrum is suppressed.
Mon May 13 13:24:51.613 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:24:51.623 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:24:51.637 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:24:51.663 CEST 2019: Expected impurity: TSP
Mon May 13 13:24:51.673 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:24:51.683 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 13:24:51.683 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 13:24:51.693 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 13:24:51.703 CEST 2019: RMSD noise: 675.444 (8.886/8.386)
Mon May 13 13:24:51.713 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:24:51.733 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.01 s.
Mon May 13 13:24:51.743 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon May 13 13:24:51.793 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 13:24:52.053 CEST 2019: Number of Peaks: (54, 23)
Mon May 13 13:24:52.063 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Mon May 13 13:24:52.073 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:24:52.083 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:24:52.093 CEST 2019: Signal-to-Noise ratio: 7525.26 (7.398 ppm)
Mon May 13 13:24:52.103 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:24:52.113 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:24:52.123 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.57 s.
Mon May 13 13:24:52.213 CEST 2019: Number of Multiplets: 122
Mon May 13 13:24:52.223 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Mon May 13 13:24:52.313 CEST 2019: Number of Peak Cluster: 13
Mon May 13 13:24:52.323 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 13 13:24:52.418 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon May 13 13:24:52.808 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 13 13:24:52.838 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:24:52.853 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 13:24:52.893 CEST 2019: Number of consistent PNS: 2
Mon May 13 13:24:52.903 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Mon May 13 13:24:52.913 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:24:53.323 CEST 2019: Number of ASL: 310
Mon May 13 13:24:53.333 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.41 s.
Mon May 13 13:24:53.683 CEST 2019: Elapsed time for evaluation (IN Suite): 0.34 s.
Mon May 13 13:24:53.713 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:24:54.493 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Mon May 13 13:24:54.503 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:24:54.503 CEST 2019: CMC-q finished in 7.29 s.
