Wed May 08 12:15:44.454 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:15:44.469 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_66\1\pdata\1
Wed May 08 12:15:44.485 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:15:44.501 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:15:44.516 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:15:44.549 CEST 2019: No HSQC data available
Wed May 08 12:15:44.580 CEST 2019: No C13 data available
Wed May 08 12:15:44.611 CEST 2019: No HMBC data available
Wed May 08 12:15:44.627 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:15:44.690 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 12:15:45.301 CEST 2019: Structure is used: true
Wed May 08 12:15:45.332 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_66/1/F06.mol
Wed May 08 12:15:45.332 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.63 s.
Wed May 08 12:15:45.377 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:15:45.392 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:15:45.392 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:15:45.408 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:15:45.408 CEST 2019: Spectrum is suppressed.
Wed May 08 12:15:45.423 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:15:45.439 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:15:45.439 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:15:45.455 CEST 2019: Expected impurity: TSP
Wed May 08 12:15:45.470 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:15:45.470 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]
Wed May 08 12:15:45.486 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]
Wed May 08 12:15:45.486 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:15:45.502 CEST 2019: RMSD noise: 701.784 (8.886/8.386)
Wed May 08 12:15:45.517 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:15:45.517 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:15:45.533 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:15:45.581 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:15:45.753 CEST 2019: Number of Peaks: (47, 11)
Wed May 08 12:15:45.768 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 12:15:45.802 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:15:45.802 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:15:45.817 CEST 2019: Signal-to-Noise ratio: 3442.27 (3.573 ppm)
Wed May 08 12:15:45.833 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:15:45.833 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:15:45.848 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Wed May 08 12:15:45.895 CEST 2019: Number of Multiplets: 110
Wed May 08 12:15:45.912 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 12:15:46.000 CEST 2019: Number of Peak Cluster: 19
Wed May 08 12:15:46.000 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 12:15:46.189 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.18 s.
Wed May 08 12:15:46.548 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Wed May 08 12:15:46.579 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 12:15:46.595 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:15:46.619 CEST 2019: Number of consistent PNS: 4
Wed May 08 12:15:46.634 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:15:46.650 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 12:15:46.776 CEST 2019: Number of ASL: 15
Wed May 08 12:15:46.792 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.12 s.
Wed May 08 12:15:47.167 CEST 2019: Elapsed time for evaluation (IN Suite): 0.36 s.
Wed May 08 12:15:47.207 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:15:47.207 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 12:15:47.958 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 12:15:47.989 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:15:47.989 CEST 2019: CMC-q finished in 3.54 s.
