Mon May 13 13:55:26.639 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:55:26.639 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_A04\1\pdata\1
Mon May 13 13:55:26.660 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:55:26.669 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:55:26.680 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:55:26.700 CEST 2019: No HSQC data available
Mon May 13 13:55:26.719 CEST 2019: No C13 data available
Mon May 13 13:55:26.729 CEST 2019: No HMBC data available
Mon May 13 13:55:26.739 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:55:26.779 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:55:27.099 CEST 2019: Structure is used: true
Mon May 13 13:55:27.139 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_A04/1/0110706044.mol
Mon May 13 13:55:27.139 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.35 s.
Mon May 13 13:55:27.159 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:55:27.169 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:55:27.179 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:55:27.188 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:55:27.189 CEST 2019: Spectrum is suppressed.
Mon May 13 13:55:27.199 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:55:27.209 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:55:27.219 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:55:27.229 CEST 2019: Expected impurity: TSP
Mon May 13 13:55:27.241 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:55:27.249 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 13:55:27.249 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 13:55:27.259 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:55:27.269 CEST 2019: RMSD noise: 698.907 (-0.203/-0.703)
Mon May 13 13:55:27.279 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:55:27.289 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:55:27.299 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:55:27.329 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:55:27.469 CEST 2019: Number of Peaks: (38, 5)
Mon May 13 13:55:27.479 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon May 13 13:55:27.489 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:55:27.499 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:55:27.509 CEST 2019: Signal-to-Noise ratio: 4123.19 (3.764 ppm)
Mon May 13 13:55:27.519 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:55:27.529 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:55:27.529 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Mon May 13 13:55:27.559 CEST 2019: Number of Multiplets: 63
Mon May 13 13:55:27.569 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:55:27.639 CEST 2019: Number of Peak Cluster: 20
Mon May 13 13:55:27.649 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 13:55:27.734 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 13 13:55:28.039 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Mon May 13 13:55:28.059 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:55:28.079 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:55:28.089 CEST 2019: Number of consistent PNS: 3
Mon May 13 13:55:28.099 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:55:28.109 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:55:28.209 CEST 2019: Number of ASL: 72
Mon May 13 13:55:28.219 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.11 s.
Mon May 13 13:55:28.409 CEST 2019: Elapsed time for evaluation (IN Suite): 0.18 s.
Mon May 13 13:55:28.429 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:55:28.439 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:55:29.029 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Mon May 13 13:55:29.029 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:55:29.039 CEST 2019: CMC-q finished in 2.40 s.
