Mon May 13 14:10:43.602 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:10:43.607 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_E09\1\pdata\1
Mon May 13 14:10:43.637 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:10:43.647 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:10:43.657 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:10:43.682 CEST 2019: No HSQC data available
Mon May 13 14:10:43.709 CEST 2019: No C13 data available
Mon May 13 14:10:43.732 CEST 2019: No HMBC data available
Mon May 13 14:10:43.737 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:10:43.797 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:10:44.387 CEST 2019: Structure is used: true
Mon May 13 14:10:44.424 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_E09/1/0110705991.mol
Mon May 13 14:10:44.437 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.63 s.
Mon May 13 14:10:44.447 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:10:44.462 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:10:44.472 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:10:44.477 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:10:44.492 CEST 2019: Spectrum is suppressed.
Mon May 13 14:10:44.497 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:10:44.507 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:10:44.524 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:10:44.537 CEST 2019: Expected impurity: TSP
Mon May 13 14:10:44.547 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:10:44.557 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 14:10:44.567 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 14:10:44.577 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:10:44.587 CEST 2019: RMSD noise: 697.769 (5.856/5.357)
Mon May 13 14:10:44.597 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:10:44.607 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:10:44.624 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:10:44.667 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 14:10:44.967 CEST 2019: Number of Peaks: (82, 13)
Mon May 13 14:10:44.977 CEST 2019: Elapsed time for evaluation (PP Suite): 0.30 s.
Mon May 13 14:10:44.987 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:10:44.997 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:10:45.007 CEST 2019: Signal-to-Noise ratio: 2179.07 (2.109 ppm)
Mon May 13 14:10:45.017 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:10:45.027 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:10:45.037 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.59 s.
Mon May 13 14:10:45.102 CEST 2019: Number of Multiplets: 133
Mon May 13 14:10:45.112 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 14:10:45.257 CEST 2019: Number of Peak Cluster: 28
Mon May 13 14:10:45.267 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon May 13 14:10:45.357 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 13 14:10:45.897 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.53 s.
Mon May 13 14:10:45.937 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:10:45.957 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:10:45.967 CEST 2019: Number of consistent PNS: 5
Mon May 13 14:10:45.982 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:10:45.999 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:10:46.067 CEST 2019: Number of ASL: 30
Mon May 13 14:10:46.077 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Mon May 13 14:10:46.807 CEST 2019: Elapsed time for evaluation (IN Suite): 0.72 s.
Mon May 13 14:10:46.832 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:10:46.842 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:10:47.637 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Mon May 13 14:10:47.647 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:10:47.657 CEST 2019: CMC-q finished in 4.05 s.
