Mon May 13 13:40:54.501 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:40:54.511 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_F03\1\pdata\1
Mon May 13 13:40:54.521 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:40:54.541 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:40:54.541 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:40:54.571 CEST 2019: No HSQC data available
Mon May 13 13:40:54.591 CEST 2019: No C13 data available
Mon May 13 13:40:54.611 CEST 2019: No HMBC data available
Mon May 13 13:40:54.621 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:40:54.661 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:40:55.411 CEST 2019: Structure is used: true
Mon May 13 13:40:55.441 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_F03/1/0110705786.mol
Mon May 13 13:40:55.451 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.77 s.
Mon May 13 13:40:55.461 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:40:55.471 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:40:55.484 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:40:55.493 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:40:55.501 CEST 2019: Spectrum is suppressed.
Mon May 13 13:40:55.501 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:40:55.511 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:40:55.521 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:40:55.531 CEST 2019: Expected impurity: TSP
Mon May 13 13:40:55.541 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:40:55.551 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 13:40:55.551 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 13:40:55.561 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:40:55.571 CEST 2019: RMSD noise: 678.866 (8.886/8.386)
Mon May 13 13:40:55.581 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:40:55.593 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:40:55.601 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:40:55.636 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:40:55.951 CEST 2019: Number of Peaks: (97, 20)
Mon May 13 13:40:55.971 CEST 2019: Elapsed time for evaluation (PP Suite): 0.33 s.
Mon May 13 13:40:55.981 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:40:55.993 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:40:56.001 CEST 2019: Signal-to-Noise ratio: 9681.39 (1.052 ppm)
Mon May 13 13:40:56.011 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:40:56.021 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:40:56.021 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.57 s.
Mon May 13 13:40:56.126 CEST 2019: Number of Multiplets: 182
Mon May 13 13:40:56.131 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.10 s.
Mon May 13 13:40:56.281 CEST 2019: Number of Peak Cluster: 24
Mon May 13 13:40:56.291 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon May 13 13:40:56.416 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Mon May 13 13:40:56.931 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.51 s.
Mon May 13 13:40:56.941 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:40:56.951 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 13:40:56.971 CEST 2019: Number of consistent PNS: 6
Mon May 13 13:40:56.981 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:40:57.011 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:40:57.601 CEST 2019: Number of ASL: 32
Mon May 13 13:40:57.611 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.59 s.
Mon May 13 13:40:58.891 CEST 2019: Elapsed time for evaluation (IN Suite): 1.27 s.
Mon May 13 13:40:58.911 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:40:58.921 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:40:59.481 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Mon May 13 13:40:59.495 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:40:59.501 CEST 2019: CMC-q finished in 5.00 s.
