Mon May 13 14:05:18.363 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:05:18.378 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_D03\1\pdata\1
Mon May 13 14:05:18.398 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:05:18.408 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:05:18.418 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:05:18.448 CEST 2019: No HSQC data available
Mon May 13 14:05:18.468 CEST 2019: No C13 data available
Mon May 13 14:05:18.498 CEST 2019: No HMBC data available
Mon May 13 14:05:18.508 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:05:18.558 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:05:19.041 CEST 2019: Structure is used: true
Mon May 13 14:05:19.082 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_D03/1/0110706002.mol
Mon May 13 14:05:19.092 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.52 s.
Mon May 13 14:05:19.110 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:05:19.121 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:05:19.133 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:05:19.143 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:05:19.148 CEST 2019: Spectrum is suppressed.
Mon May 13 14:05:19.158 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:05:19.168 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:05:19.178 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:05:19.198 CEST 2019: Expected impurity: TSP
Mon May 13 14:05:19.209 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:05:19.221 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 14:05:19.228 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 14:05:19.238 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:05:19.248 CEST 2019: RMSD noise: 670.494 (-0.812/-1.312)
Mon May 13 14:05:19.258 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:05:19.268 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:05:19.278 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:05:19.338 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:05:19.583 CEST 2019: Number of Peaks: (55, 9)
Mon May 13 14:05:19.613 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Mon May 13 14:05:19.621 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:05:19.628 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:05:19.638 CEST 2019: Signal-to-Noise ratio: 1752.80 (2.862 ppm)
Mon May 13 14:05:19.648 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:05:19.658 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:05:19.678 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.57 s.
Mon May 13 14:05:19.728 CEST 2019: Number of Multiplets: 104
Mon May 13 14:05:19.738 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 14:05:19.848 CEST 2019: Number of Peak Cluster: 16
Mon May 13 14:05:19.858 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 14:05:19.998 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Mon May 13 14:05:20.398 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.39 s.
Mon May 13 14:05:20.408 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:05:20.428 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:05:20.438 CEST 2019: Number of consistent PNS: 3
Mon May 13 14:05:20.448 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:05:20.468 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:05:20.593 CEST 2019: Number of ASL: 72
Mon May 13 14:05:20.603 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.12 s.
Mon May 13 14:05:21.163 CEST 2019: Elapsed time for evaluation (IN Suite): 0.55 s.
Mon May 13 14:05:21.178 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:05:21.198 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:05:21.963 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Mon May 13 14:05:21.988 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:05:21.998 CEST 2019: CMC-q finished in 3.63 s.
