Mon May 13 13:42:11.501 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:42:11.511 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_F08\1\pdata\1
Mon May 13 13:42:11.531 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:42:11.541 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:42:11.551 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:42:11.562 CEST 2019: No HSQC data available
Mon May 13 13:42:11.581 CEST 2019: No C13 data available
Mon May 13 13:42:11.601 CEST 2019: No HMBC data available
Mon May 13 13:42:11.611 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:42:11.651 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:42:11.941 CEST 2019: Structure is used: true
Mon May 13 13:42:11.971 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_F08/1/0110705791.mol
Mon May 13 13:42:11.971 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.31 s.
Mon May 13 13:42:11.991 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:42:12.001 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:42:12.011 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:42:12.011 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:42:12.021 CEST 2019: Spectrum is suppressed.
Mon May 13 13:42:12.031 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:42:12.041 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:42:12.051 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:42:12.062 CEST 2019: Expected impurity: TSP
Mon May 13 13:42:12.062 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:42:12.071 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 13:42:12.081 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 13:42:12.091 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:42:12.101 CEST 2019: RMSD noise: 694.477 (10.704/10.204)
Mon May 13 13:42:12.111 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:42:12.111 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:42:12.121 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:42:12.162 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:42:12.311 CEST 2019: Number of Peaks: (42, 4)
Mon May 13 13:42:12.321 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Mon May 13 13:42:12.321 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:42:12.331 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:42:12.341 CEST 2019: Signal-to-Noise ratio: 3595.47 (2.157 ppm)
Mon May 13 13:42:12.351 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:42:12.362 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:42:12.371 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Mon May 13 13:42:12.391 CEST 2019: Number of Multiplets: 60
Mon May 13 13:42:12.401 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 13 13:42:12.462 CEST 2019: Number of Peak Cluster: 17
Mon May 13 13:42:12.471 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 13 13:42:12.531 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Mon May 13 13:42:12.821 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Mon May 13 13:42:12.841 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:42:12.851 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:42:12.871 CEST 2019: Number of consistent PNS: 5
Mon May 13 13:42:12.881 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:42:12.881 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:42:12.931 CEST 2019: Number of ASL: 16
Mon May 13 13:42:12.931 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon May 13 13:42:12.991 CEST 2019: Elapsed time for evaluation (IN Suite): 0.05 s.
Mon May 13 13:42:13.011 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:42:13.021 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:42:13.591 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Mon May 13 13:42:13.601 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:42:13.611 CEST 2019: CMC-q finished in 2.11 s.
