Mon May 13 14:11:11.059 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:11:11.069 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_E11\1\pdata\1
Mon May 13 14:11:11.089 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:11:11.099 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:11:11.110 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:11:11.140 CEST 2019: No HSQC data available
Mon May 13 14:11:11.158 CEST 2019: No C13 data available
Mon May 13 14:11:11.177 CEST 2019: No HMBC data available
Mon May 13 14:11:11.197 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:11:11.247 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:11:11.717 CEST 2019: Structure is used: true
Mon May 13 14:11:11.757 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_E11/1/0110705989.mol
Mon May 13 14:11:11.769 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.51 s.
Mon May 13 14:11:11.787 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:11:11.797 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:11:11.807 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:11:11.817 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:11:11.827 CEST 2019: Spectrum is suppressed.
Mon May 13 14:11:11.837 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:11:11.847 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:11:11.857 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:11:11.869 CEST 2019: Expected impurity: TSP
Mon May 13 14:11:11.877 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:11:11.892 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 14:11:11.902 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 14:11:11.917 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:11:11.927 CEST 2019: RMSD noise: 685.741 (9.492/8.992)
Mon May 13 14:11:11.937 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:11:11.947 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:11:11.957 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:11:12.007 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:11:12.207 CEST 2019: Number of Peaks: (41, 8)
Mon May 13 14:11:12.217 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 14:11:12.227 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:11:12.237 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:11:12.247 CEST 2019: Signal-to-Noise ratio: 3431.49 (2.191 ppm)
Mon May 13 14:11:12.262 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:11:12.270 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:11:12.277 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 13 14:11:12.327 CEST 2019: Number of Multiplets: 84
Mon May 13 14:11:12.337 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 14:11:12.417 CEST 2019: Number of Peak Cluster: 15
Mon May 13 14:11:12.427 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 14:11:12.517 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon May 13 14:11:12.917 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.39 s.
Mon May 13 14:11:12.937 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:11:12.947 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:11:12.967 CEST 2019: Number of consistent PNS: 1
Mon May 13 14:11:12.977 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:11:12.987 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:11:13.022 CEST 2019: Number of ASL: 3
Mon May 13 14:11:13.027 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon May 13 14:11:13.382 CEST 2019: Elapsed time for evaluation (IN Suite): 0.34 s.
Mon May 13 14:11:13.397 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:11:13.412 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:11:14.147 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 13 14:11:14.192 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:11:14.197 CEST 2019: CMC-q finished in 3.14 s.
