Wed May 08 11:21:07.610 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:21:07.612 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_63\1\pdata\1
Wed May 08 11:21:07.640 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:21:07.653 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:21:07.663 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:21:07.723 CEST 2019: No HSQC data available
Wed May 08 11:21:07.754 CEST 2019: No C13 data available
Wed May 08 11:21:07.784 CEST 2019: No HMBC data available
Wed May 08 11:21:07.804 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:21:07.865 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:21:08.158 CEST 2019: Structure is used: true
Wed May 08 11:21:08.179 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_63/1/F03.mol
Wed May 08 11:21:08.189 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.32 s.
Wed May 08 11:21:08.220 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:21:08.230 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:21:08.240 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:21:08.250 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:21:08.260 CEST 2019: Spectrum is suppressed.
Wed May 08 11:21:08.268 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:21:08.278 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:21:08.288 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:21:08.301 CEST 2019: Expected impurity: TSP
Wed May 08 11:21:08.311 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:21:08.321 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 11:21:08.331 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 11:21:08.341 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:21:08.351 CEST 2019: RMSD noise: 654.457 (10.098/9.598)
Wed May 08 11:21:08.362 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:21:08.372 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:21:08.382 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:21:08.430 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:21:08.592 CEST 2019: Number of Peaks: (35, 2)
Wed May 08 11:21:08.602 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Wed May 08 11:21:08.612 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:21:08.622 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:21:08.632 CEST 2019: Signal-to-Noise ratio: 2560.24 (2.836 ppm)
Wed May 08 11:21:08.645 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:21:08.655 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:21:08.665 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Wed May 08 11:21:08.693 CEST 2019: Number of Multiplets: 61
Wed May 08 11:21:08.709 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 11:21:08.793 CEST 2019: Number of Peak Cluster: 19
Wed May 08 11:21:08.809 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 11:21:09.029 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.21 s.
Wed May 08 11:21:09.404 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Wed May 08 11:21:09.437 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:21:09.452 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:21:09.468 CEST 2019: Number of consistent PNS: 5
Wed May 08 11:21:09.483 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:21:09.499 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:21:09.563 CEST 2019: Number of ASL: 28
Wed May 08 11:21:09.578 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Wed May 08 11:21:09.703 CEST 2019: Elapsed time for evaluation (IN Suite): 0.11 s.
Wed May 08 11:21:09.742 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:21:09.742 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:21:09.758 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:21:10.509 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 11:21:10.525 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:21:10.525 CEST 2019: CMC-q finished in 2.92 s.
