Mon May 13 13:28:10.263 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:28:10.273 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_B03\1\pdata\1
Mon May 13 13:28:10.283 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:28:10.293 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:28:10.303 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:28:10.323 CEST 2019: No HSQC data available
Mon May 13 13:28:10.352 CEST 2019: No C13 data available
Mon May 13 13:28:10.373 CEST 2019: No HMBC data available
Mon May 13 13:28:10.383 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:28:10.423 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:28:10.683 CEST 2019: Structure is used: true
Mon May 13 13:28:10.713 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_B03/1/0110705834.mol
Mon May 13 13:28:10.723 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.29 s.
Mon May 13 13:28:10.738 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:28:10.748 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:28:10.753 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:28:10.763 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:28:10.763 CEST 2019: Spectrum is suppressed.
Mon May 13 13:28:10.773 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:28:10.783 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:28:10.792 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:28:10.803 CEST 2019: Expected impurity: TSP
Mon May 13 13:28:10.813 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:28:10.823 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 13:28:10.833 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 13:28:10.838 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:28:10.843 CEST 2019: RMSD noise: 654.741 (10.704/10.204)
Mon May 13 13:28:10.853 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:28:10.863 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:28:10.873 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:28:10.913 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:28:11.043 CEST 2019: Number of Peaks: (32, 12)
Mon May 13 13:28:11.043 CEST 2019: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon May 13 13:28:11.053 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:28:11.063 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:28:11.073 CEST 2019: Signal-to-Noise ratio: 1216.50 (1.191 ppm)
Mon May 13 13:28:11.083 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:28:11.093 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:28:11.093 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.37 s.
Mon May 13 13:28:11.123 CEST 2019: Number of Multiplets: 50
Mon May 13 13:28:11.123 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 13 13:28:11.183 CEST 2019: Number of Peak Cluster: 14
Mon May 13 13:28:11.193 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 13 13:28:11.233 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 13 13:28:11.553 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Mon May 13 13:28:11.583 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:28:11.593 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:28:11.603 CEST 2019: Number of consistent PNS: 1
Mon May 13 13:28:11.603 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:28:11.613 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:28:11.812 CEST 2019: Number of ASL: 72
Mon May 13 13:28:11.823 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.20 s.
Mon May 13 13:28:11.943 CEST 2019: Elapsed time for evaluation (IN Suite): 0.11 s.
Mon May 13 13:28:11.973 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:28:11.983 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:28:12.593 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.64 s.
Mon May 13 13:28:12.604 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:28:12.613 CEST 2019: CMC-q finished in 2.35 s.
