Mon May 13 13:59:41.201 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:59:41.209 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_B09\1\pdata\1
Mon May 13 13:59:41.240 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:59:41.252 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:59:41.262 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:59:41.293 CEST 2019: No HSQC data available
Mon May 13 13:59:41.313 CEST 2019: No C13 data available
Mon May 13 13:59:41.344 CEST 2019: No HMBC data available
Mon May 13 13:59:41.352 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:59:41.409 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Mon May 13 13:59:41.928 CEST 2019: Structure is used: true
Mon May 13 13:59:41.969 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_B09/1/0110706032.mol
Mon May 13 13:59:41.979 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.56 s.
Mon May 13 13:59:41.999 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:59:42.008 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:59:42.019 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:59:42.034 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:59:42.039 CEST 2019: Spectrum is suppressed.
Mon May 13 13:59:42.049 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:59:42.059 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:59:42.069 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:59:42.088 CEST 2019: Expected impurity: TSP
Mon May 13 13:59:42.099 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:59:42.109 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 13:59:42.118 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 13:59:42.129 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 13:59:42.138 CEST 2019: RMSD noise: 725.668 (8.886/8.386)
Mon May 13 13:59:42.154 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:59:42.159 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:59:42.179 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:59:42.234 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 13:59:42.439 CEST 2019: Number of Peaks: (45, 15)
Mon May 13 13:59:42.449 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 13 13:59:42.459 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:59:42.469 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:59:42.480 CEST 2019: Signal-to-Noise ratio: 2377.94 (2.178 ppm)
Mon May 13 13:59:42.488 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:59:42.504 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:59:42.509 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Mon May 13 13:59:42.553 CEST 2019: Number of Multiplets: 90
Mon May 13 13:59:42.559 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:59:42.669 CEST 2019: Number of Peak Cluster: 15
Mon May 13 13:59:42.699 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.13 s.
Mon May 13 13:59:42.794 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon May 13 13:59:43.183 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 13 13:59:43.198 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:59:43.209 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:59:43.234 CEST 2019: Number of consistent PNS: 3
Mon May 13 13:59:43.239 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:59:43.259 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:59:43.339 CEST 2019: Number of ASL: 3
Mon May 13 13:59:43.359 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.09 s.
Mon May 13 13:59:43.968 CEST 2019: Elapsed time for evaluation (IN Suite): 0.61 s.
Mon May 13 13:59:44.002 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:59:44.009 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:59:44.018 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:59:44.768 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Mon May 13 13:59:44.778 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:59:44.789 CEST 2019: CMC-q finished in 3.59 s.
