Wed May 08 11:30:02.134 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:30:02.134 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_78\1\pdata\1
Wed May 08 11:30:02.166 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:30:02.166 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:30:02.181 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:30:02.228 CEST 2019: No HSQC data available
Wed May 08 11:30:02.244 CEST 2019: No C13 data available
Wed May 08 11:30:02.291 CEST 2019: No HMBC data available
Wed May 08 11:30:02.350 CEST 2019: Elapsed time for evaluation (XD Suite): 0.02 s.
Wed May 08 11:30:02.397 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:30:02.773 CEST 2019: Structure is used: true
Wed May 08 11:30:02.789 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_78/1/G06.mol
Wed May 08 11:30:02.805 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.39 s.
Wed May 08 11:30:02.844 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:30:02.860 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:30:02.860 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:30:02.875 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:30:02.875 CEST 2019: Spectrum is suppressed.
Wed May 08 11:30:02.891 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:30:02.906 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:30:02.906 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:30:02.922 CEST 2019: Expected impurity: TSP
Wed May 08 11:30:02.938 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:30:02.953 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 11:30:02.953 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 11:30:02.969 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:30:02.984 CEST 2019: RMSD noise: 664.575 (8.886/8.386)
Wed May 08 11:30:02.984 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:30:03.000 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:30:03.017 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:30:03.064 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:30:03.204 CEST 2019: Number of Peaks: (29, 6)
Wed May 08 11:30:03.220 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Wed May 08 11:30:03.220 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:30:03.236 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:30:03.236 CEST 2019: Signal-to-Noise ratio: 4448.25 (7.355 ppm)
Wed May 08 11:30:03.251 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:30:03.267 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:30:03.267 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Wed May 08 11:30:03.298 CEST 2019: Number of Multiplets: 64
Wed May 08 11:30:03.335 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 11:30:03.397 CEST 2019: Number of Peak Cluster: 15
Wed May 08 11:30:03.413 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 11:30:03.617 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Wed May 08 11:30:03.914 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Wed May 08 11:30:03.961 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:30:03.961 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:30:03.977 CEST 2019: Number of consistent PNS: 2
Wed May 08 11:30:03.992 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:30:04.008 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:30:04.023 CEST 2019: Number of ASL: 4
Wed May 08 11:30:04.039 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Wed May 08 11:30:04.070 CEST 2019: Elapsed time for evaluation (IN Suite): 0.01 s.
Wed May 08 11:30:04.109 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:30:04.124 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:30:04.877 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 11:30:04.877 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:30:04.892 CEST 2019: CMC-q finished in 2.76 s.
