Wed May 08 11:47:34.153 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:47:34.153 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_7\1\pdata\1
Wed May 08 11:47:34.184 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:47:34.201 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:47:34.201 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:47:34.232 CEST 2019: No HSQC data available
Wed May 08 11:47:34.279 CEST 2019: No C13 data available
Wed May 08 11:47:34.310 CEST 2019: No HMBC data available
Wed May 08 11:47:34.326 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:47:34.386 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 11:47:34.855 CEST 2019: Structure is used: true
Wed May 08 11:47:34.886 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_7/1/A07.mol
Wed May 08 11:47:34.886 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.49 s.
Wed May 08 11:47:34.924 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.02 s.
Wed May 08 11:47:34.940 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:47:34.940 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:47:34.956 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:47:34.956 CEST 2019: Spectrum is suppressed.
Wed May 08 11:47:34.971 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:47:34.987 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:47:34.987 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:47:35.002 CEST 2019: Expected impurity: TSP
Wed May 08 11:47:35.018 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:47:35.018 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 11:47:35.035 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 11:47:35.035 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:47:35.051 CEST 2019: RMSD noise: 680.301 (5.250/4.751)
Wed May 08 11:47:35.082 CEST 2019: Elapsed time for evaluation (ND Suite): 0.03 s.
Wed May 08 11:47:35.082 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:47:35.098 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:47:35.145 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:47:35.380 CEST 2019: Number of Peaks: (51, 16)
Wed May 08 11:47:35.396 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Wed May 08 11:47:35.412 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:47:35.412 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:47:35.427 CEST 2019: Signal-to-Noise ratio: 771.53 (7.977 ppm)
Wed May 08 11:47:35.443 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:47:35.443 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:47:35.459 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.55 s.
Wed May 08 11:47:35.505 CEST 2019: Number of Multiplets: 94
Wed May 08 11:47:35.537 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Wed May 08 11:47:35.642 CEST 2019: Number of Peak Cluster: 19
Wed May 08 11:47:35.657 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 11:47:35.768 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Wed May 08 11:47:36.158 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Wed May 08 11:47:36.174 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 11:47:36.189 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:47:36.205 CEST 2019: Number of consistent PNS: 3
Wed May 08 11:47:36.205 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:47:36.220 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:47:36.253 CEST 2019: Number of ASL: 4
Wed May 08 11:47:36.253 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Wed May 08 11:47:36.438 CEST 2019: Elapsed time for evaluation (IN Suite): 0.17 s.
Wed May 08 11:47:36.480 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:47:37.216 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Wed May 08 11:47:37.236 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:47:37.246 CEST 2019: CMC-q finished in 3.09 s.
