Mon May 06 23:31:41.311 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:31:41.326 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\87\pdata\1
Mon May 06 23:31:41.342 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:31:41.358 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:31:41.358 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:31:41.389 CEST 2019: No HSQC data available
Mon May 06 23:31:41.404 CEST 2019: No C13 data available
Mon May 06 23:31:41.436 CEST 2019: No HMBC data available
Mon May 06 23:31:41.436 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:31:41.498 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:31:42.452 CEST 2019: Structure is used: true
Mon May 06 23:31:42.484 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/87/H03.mol
Mon May 06 23:31:42.484 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.99 s.
Mon May 06 23:31:42.499 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:31:42.515 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:31:42.530 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:31:42.530 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:31:42.546 CEST 2019: Spectrum is suppressed.
Mon May 06 23:31:42.562 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:31:42.562 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:31:42.577 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:31:42.593 CEST 2019: Expected impurity: TSP
Mon May 06 23:31:42.609 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:31:42.609 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 06 23:31:42.624 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 06 23:31:42.624 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:31:42.640 CEST 2019: RMSD noise: 664.629 (8.886/8.386)
Mon May 06 23:31:42.655 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:31:42.655 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:31:42.671 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:31:42.718 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:31:43.171 CEST 2019: Number of Peaks: (104, 42)
Mon May 06 23:31:43.171 CEST 2019: Elapsed time for evaluation (PP Suite): 0.45 s.
Mon May 06 23:31:43.187 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:31:43.202 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:31:43.202 CEST 2019: Signal-to-Noise ratio: 2281.23 (3.505 ppm)
Mon May 06 23:31:43.218 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:31:43.233 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:31:43.233 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.74 s.
Mon May 06 23:31:43.499 CEST 2019: Number of Multiplets: 279
Mon May 06 23:31:43.530 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.28 s.
Mon May 06 23:31:43.719 CEST 2019: Number of Peak Cluster: 22
Mon May 06 23:31:43.735 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.19 s.
Mon May 06 23:31:43.813 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 06 23:31:44.642 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.82 s.
Mon May 06 23:31:44.658 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:31:44.673 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 23:31:44.705 CEST 2019: Number of consistent PNS: 2
Mon May 06 23:31:44.705 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:31:44.720 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:31:52.299 CEST 2019: Number of ASL: 73
Mon May 06 23:31:52.315 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 7.58 s.
Mon May 06 23:31:56.291 CEST 2019: Elapsed time for evaluation (IN Suite): 3.96 s.
Mon May 06 23:31:56.338 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:31:56.338 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:31:57.135 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Mon May 06 23:31:57.150 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:31:57.166 CEST 2019: CMC-q finished in 15.86 s.
