Mon May 13 13:55:50.490 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:55:50.499 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_A06\1\pdata\1
Mon May 13 13:55:50.519 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:55:50.529 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:55:50.539 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:55:50.559 CEST 2019: No HSQC data available
Mon May 13 13:55:50.579 CEST 2019: No C13 data available
Mon May 13 13:55:50.599 CEST 2019: No HMBC data available
Mon May 13 13:55:50.609 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:55:50.649 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:55:51.084 CEST 2019: Structure is used: true
Mon May 13 13:55:51.109 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_A06/1/0110706042.mol
Mon May 13 13:55:51.119 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.46 s.
Mon May 13 13:55:51.139 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:55:51.149 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:55:51.149 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:55:51.159 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:55:51.169 CEST 2019: Spectrum is suppressed.
Mon May 13 13:55:51.179 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:55:51.179 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:55:51.189 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:55:51.199 CEST 2019: Expected impurity: TSP
Mon May 13 13:55:51.209 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:55:51.219 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 13:55:51.229 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 13:55:51.239 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Mon May 13 13:55:51.239 CEST 2019: RMSD noise: 715.374 (10.098/9.598)
Mon May 13 13:55:51.249 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:55:51.259 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:55:51.274 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:55:51.309 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:55:51.529 CEST 2019: Number of Peaks: (66, 14)
Mon May 13 13:55:51.539 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Mon May 13 13:55:51.549 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:55:51.559 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:55:51.569 CEST 2019: Signal-to-Noise ratio: 4544.29 (1.110 ppm)
Mon May 13 13:55:51.599 CEST 2019: Elapsed time for evaluation (SND Suite): 0.03 s.
Mon May 13 13:55:51.599 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:55:51.609 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.48 s.
Mon May 13 13:55:51.679 CEST 2019: Number of Multiplets: 127
Mon May 13 13:55:51.689 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 13 13:55:51.779 CEST 2019: Number of Peak Cluster: 18
Mon May 13 13:55:51.789 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 13 13:55:51.939 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.14 s.
Mon May 13 13:55:52.319 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Mon May 13 13:55:52.329 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:55:52.344 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:55:52.354 CEST 2019: Number of consistent PNS: 2
Mon May 13 13:55:52.360 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:55:52.374 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:55:52.629 CEST 2019: Number of ASL: 114
Mon May 13 13:55:52.649 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.27 s.
Mon May 13 13:55:52.919 CEST 2019: Elapsed time for evaluation (IN Suite): 0.26 s.
Mon May 13 13:55:52.939 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:55:53.509 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.57 s.
Mon May 13 13:55:53.509 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:55:53.519 CEST 2019: CMC-q finished in 3.03 s.
