Mon May 13 14:07:11.918 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:07:11.948 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_D11\1\pdata\1
Mon May 13 14:07:11.968 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:07:11.988 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:07:11.998 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:07:12.018 CEST 2019: No HSQC data available
Mon May 13 14:07:12.048 CEST 2019: No C13 data available
Mon May 13 14:07:12.068 CEST 2019: No HMBC data available
Mon May 13 14:07:12.078 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:07:12.128 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:07:12.768 CEST 2019: Structure is used: true
Mon May 13 14:07:12.808 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_D11/1/0110706010.mol
Mon May 13 14:07:12.818 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.68 s.
Mon May 13 14:07:12.838 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:07:12.848 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:07:12.858 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:07:12.867 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:07:12.878 CEST 2019: Spectrum is suppressed.
Mon May 13 14:07:12.888 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:07:12.898 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:07:12.908 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:07:12.928 CEST 2019: Expected impurity: TSP
Mon May 13 14:07:12.938 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:07:12.948 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 14:07:12.959 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 14:07:12.968 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:07:12.978 CEST 2019: RMSD noise: 700.297 (-0.203/-0.703)
Mon May 13 14:07:12.988 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:07:12.998 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:07:13.008 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:07:13.058 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:07:13.268 CEST 2019: Number of Peaks: (38, 16)
Mon May 13 14:07:13.278 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 13 14:07:13.288 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:07:13.298 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:07:13.308 CEST 2019: Signal-to-Noise ratio: 756.93 (7.437 ppm)
Mon May 13 14:07:13.317 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:07:13.328 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:07:13.338 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Mon May 13 14:07:13.388 CEST 2019: Number of Multiplets: 90
Mon May 13 14:07:13.398 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 14:07:13.468 CEST 2019: Number of Peak Cluster: 12
Mon May 13 14:07:13.483 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 14:07:13.603 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Mon May 13 14:07:14.008 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Mon May 13 14:07:14.048 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:07:14.068 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:07:14.088 CEST 2019: Number of consistent PNS: 4
Mon May 13 14:07:14.098 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:07:14.108 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:07:14.553 CEST 2019: Number of ASL: 16
Mon May 13 14:07:14.558 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.44 s.
Mon May 13 14:07:15.307 CEST 2019: Elapsed time for evaluation (IN Suite): 0.74 s.
Mon May 13 14:07:15.338 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:07:16.181 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Mon May 13 14:07:16.188 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:07:16.223 CEST 2019: CMC-q finished in 4.30 s.
