Wed May 08 11:21:35.816 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:21:35.816 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_64\1\pdata\1
Wed May 08 11:21:35.848 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:21:35.848 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:21:35.863 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:21:35.926 CEST 2019: No HSQC data available
Wed May 08 11:21:35.973 CEST 2019: No C13 data available
Wed May 08 11:21:36.004 CEST 2019: No HMBC data available
Wed May 08 11:21:36.019 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 11:21:36.113 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.09 s.
Wed May 08 11:21:36.727 CEST 2019: Structure is used: true
Wed May 08 11:21:36.727 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_64/1/F04.mol
Wed May 08 11:21:36.742 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.62 s.
Wed May 08 11:21:36.787 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:21:36.802 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:21:36.802 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:21:36.818 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:21:36.834 CEST 2019: Spectrum is suppressed.
Wed May 08 11:21:36.834 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:21:36.849 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:21:36.865 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:21:36.880 CEST 2019: Expected impurity: TSP
Wed May 08 11:21:36.896 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:21:36.896 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 11:21:36.912 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 11:21:36.927 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:21:36.927 CEST 2019: RMSD noise: 685.716 (0.403/-0.097)
Wed May 08 11:21:36.943 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:21:36.959 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:21:36.974 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:21:37.022 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:21:37.569 CEST 2019: Number of Peaks: (83, 25)
Wed May 08 11:21:37.585 CEST 2019: Elapsed time for evaluation (PP Suite): 0.54 s.
Wed May 08 11:21:37.585 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:21:37.619 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:21:37.635 CEST 2019: Signal-to-Noise ratio: 3425.11 (3.059 ppm)
Wed May 08 11:21:37.650 CEST 2019: Elapsed time for evaluation (SND Suite): 0.02 s.
Wed May 08 11:21:37.650 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:21:37.666 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.91 s.
Wed May 08 11:21:37.917 CEST 2019: Number of Multiplets: 193
Wed May 08 11:21:37.948 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.26 s.
Wed May 08 11:21:38.120 CEST 2019: Number of Peak Cluster: 20
Wed May 08 11:21:38.136 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.18 s.
Wed May 08 11:21:38.370 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.22 s.
Wed May 08 11:21:38.905 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.53 s.
Wed May 08 11:21:38.936 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 11:21:38.952 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:21:38.991 CEST 2019: Number of consistent PNS: 4
Wed May 08 11:21:39.006 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 11:21:39.038 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 11:21:57.796 CEST 2019: Number of ASL: 804
Wed May 08 11:21:57.811 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 18.76 s.
Wed May 08 11:21:59.186 CEST 2019: Elapsed time for evaluation (IN Suite): 1.37 s.
Wed May 08 11:21:59.216 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:21:59.232 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:22:00.015 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 11:22:00.031 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:22:00.031 CEST 2019: CMC-q finished in 24.21 s.
