Mon May 13 14:12:02.767 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:12:02.777 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_F03\1\pdata\1
Mon May 13 14:12:02.797 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:12:02.807 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:12:02.817 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:12:02.837 CEST 2019: No HSQC data available
Mon May 13 14:12:02.867 CEST 2019: No C13 data available
Mon May 13 14:12:02.887 CEST 2019: No HMBC data available
Mon May 13 14:12:02.897 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:12:02.947 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:12:03.347 CEST 2019: Structure is used: true
Mon May 13 14:12:03.377 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_F03/1/0110705978.mol
Mon May 13 14:12:03.387 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.44 s.
Mon May 13 14:12:03.407 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:12:03.417 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:12:03.427 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:12:03.442 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:12:03.447 CEST 2019: Spectrum is suppressed.
Mon May 13 14:12:03.463 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:12:03.467 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:12:03.477 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:12:03.497 CEST 2019: Expected impurity: TSP
Mon May 13 14:12:03.507 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:12:03.517 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 14:12:03.527 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 14:12:03.527 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:12:03.537 CEST 2019: RMSD noise: 668.808 (9.492/8.992)
Mon May 13 14:12:03.547 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:12:03.567 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:12:03.577 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:12:03.622 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 14:12:03.837 CEST 2019: Number of Peaks: (48, 14)
Mon May 13 14:12:03.847 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Mon May 13 14:12:03.864 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:12:03.867 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:12:03.877 CEST 2019: Signal-to-Noise ratio: 4279.11 (3.094 ppm)
Mon May 13 14:12:03.887 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:12:03.897 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:12:03.907 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Mon May 13 14:12:03.952 CEST 2019: Number of Multiplets: 71
Mon May 13 14:12:03.964 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 14:12:04.057 CEST 2019: Number of Peak Cluster: 22
Mon May 13 14:12:04.072 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 13 14:12:04.167 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 13 14:12:04.557 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 13 14:12:04.597 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:12:04.607 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:12:04.617 CEST 2019: Number of consistent PNS: 3
Mon May 13 14:12:04.627 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:12:04.637 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:12:04.797 CEST 2019: Number of ASL: 64
Mon May 13 14:12:04.807 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.15 s.
Mon May 13 14:12:04.997 CEST 2019: Elapsed time for evaluation (IN Suite): 0.18 s.
Mon May 13 14:12:05.017 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:12:05.027 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:12:05.757 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Mon May 13 14:12:05.767 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:12:05.777 CEST 2019: CMC-q finished in 3.01 s.
