Wed May 08 09:25:20.001 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:25:20.016 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_51\1\pdata\1
Wed May 08 09:25:20.032 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:25:20.047 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:25:20.047 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:25:20.079 CEST 2019: No HSQC data available
Wed May 08 09:25:20.094 CEST 2019: No C13 data available
Wed May 08 09:25:20.126 CEST 2019: No HMBC data available
Wed May 08 09:25:20.141 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:25:20.188 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:25:20.563 CEST 2019: Structure is used: true
Wed May 08 09:25:20.594 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_51/1/21.mol
Wed May 08 09:25:20.610 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.41 s.
Wed May 08 09:25:20.625 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:25:20.641 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:25:20.641 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:25:20.657 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:25:20.657 CEST 2019: Spectrum is suppressed.
Wed May 08 09:25:20.672 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:25:20.672 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:25:20.688 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:25:20.688 CEST 2019: Expected impurity: TSP
Wed May 08 09:25:20.704 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:25:20.704 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 09:25:20.719 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 09:25:20.719 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:25:20.735 CEST 2019: RMSD noise: 657.241 (7.674/7.174)
Wed May 08 09:25:20.735 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:25:20.750 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:25:20.750 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:25:20.797 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:25:21.016 CEST 2019: Number of Peaks: (68, 10)
Wed May 08 09:25:21.047 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Wed May 08 09:25:21.047 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:25:21.063 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:25:21.063 CEST 2019: Signal-to-Noise ratio: 5814.84 (2.060 ppm)
Wed May 08 09:25:21.078 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:25:21.094 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:25:21.094 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.48 s.
Wed May 08 09:25:21.172 CEST 2019: Number of Multiplets: 134
Wed May 08 09:25:21.172 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Wed May 08 09:25:21.469 CEST 2019: Number of Peak Cluster: 16
Wed May 08 09:25:21.469 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.29 s.
Wed May 08 09:25:21.656 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Wed May 08 09:25:22.031 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Wed May 08 09:25:22.063 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:25:22.078 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:25:22.094 CEST 2019: Number of consistent PNS: 3
Wed May 08 09:25:22.094 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:25:22.109 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:25:22.406 CEST 2019: Number of ASL: 16
Wed May 08 09:25:22.406 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.29 s.
Wed May 08 09:25:23.265 CEST 2019: Elapsed time for evaluation (IN Suite): 0.85 s.
Wed May 08 09:25:23.297 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:25:23.297 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:25:23.883 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Wed May 08 09:25:23.898 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:25:23.898 CEST 2019: CMC-q finished in 3.90 s.
