Mon May 13 13:38:47.416 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:38:47.421 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_E06\1\pdata\1
Mon May 13 13:38:47.441 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:38:47.452 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:38:47.462 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:38:47.481 CEST 2019: No HSQC data available
Mon May 13 13:38:47.502 CEST 2019: No C13 data available
Mon May 13 13:38:47.522 CEST 2019: No HMBC data available
Mon May 13 13:38:47.532 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:38:47.581 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:38:47.836 CEST 2019: Structure is used: true
Mon May 13 13:38:47.861 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_E06/1/0110705802.mol
Mon May 13 13:38:47.871 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.28 s.
Mon May 13 13:38:47.881 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:38:47.891 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:38:47.901 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:38:47.913 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:38:47.921 CEST 2019: Spectrum is suppressed.
Mon May 13 13:38:47.921 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:38:47.932 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:38:47.941 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:38:47.952 CEST 2019: Expected impurity: TSP
Mon May 13 13:38:47.962 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:38:47.971 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 13:38:47.982 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 13:38:47.992 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:38:47.992 CEST 2019: RMSD noise: 647.443 (5.250/4.751)
Mon May 13 13:38:48.001 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:38:48.017 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:38:48.021 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:38:48.062 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:38:48.271 CEST 2019: Number of Peaks: (72, 10)
Mon May 13 13:38:48.281 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 13 13:38:48.292 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:38:48.301 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:38:48.301 CEST 2019: Signal-to-Noise ratio: 4552.42 (3.363 ppm)
Mon May 13 13:38:48.317 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:38:48.321 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:38:48.332 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Mon May 13 13:38:48.381 CEST 2019: Number of Multiplets: 119
Mon May 13 13:38:48.381 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 13:38:48.511 CEST 2019: Number of Peak Cluster: 28
Mon May 13 13:38:48.531 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Mon May 13 13:38:48.631 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon May 13 13:38:48.951 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Mon May 13 13:38:48.971 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:38:48.986 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 13:38:48.991 CEST 2019: Number of consistent PNS: 2
Mon May 13 13:38:49.001 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:38:49.019 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:38:49.036 CEST 2019: Number of ASL: 6
Mon May 13 13:38:49.046 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon May 13 13:38:49.061 CEST 2019: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon May 13 13:38:49.082 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:38:49.091 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:38:49.641 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.57 s.
Mon May 13 13:38:49.641 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:38:49.652 CEST 2019: CMC-q finished in 2.24 s.
