Wed May 08 11:37:24.205 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:37:24.221 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_92\1\pdata\1
Wed May 08 11:37:24.236 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:37:24.252 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:37:24.268 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:37:24.305 CEST 2019: No HSQC data available
Wed May 08 11:37:24.337 CEST 2019: No C13 data available
Wed May 08 11:37:24.368 CEST 2019: No HMBC data available
Wed May 08 11:37:24.383 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:37:24.452 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:37:25.021 CEST 2019: Structure is used: true
Wed May 08 11:37:25.062 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_92/1/H08.mol
Wed May 08 11:37:25.072 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.61 s.
Wed May 08 11:37:25.112 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:37:25.120 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:37:25.132 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:37:25.142 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:37:25.152 CEST 2019: Spectrum is suppressed.
Wed May 08 11:37:25.163 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:37:25.173 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:37:25.181 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:37:25.193 CEST 2019: Expected impurity: TSP
Wed May 08 11:37:25.203 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:37:25.211 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 11:37:25.223 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 11:37:25.233 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:37:25.243 CEST 2019: RMSD noise: 684.333 (-0.812/-1.312)
Wed May 08 11:37:25.253 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:37:25.263 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:37:25.274 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:37:25.324 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:37:25.507 CEST 2019: Number of Peaks: (34, 10)
Wed May 08 11:37:25.527 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 11:37:25.537 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:37:25.547 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:37:25.555 CEST 2019: Signal-to-Noise ratio: 2363.39 (2.235 ppm)
Wed May 08 11:37:25.575 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:37:25.585 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:37:25.596 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Wed May 08 11:37:25.628 CEST 2019: Number of Multiplets: 68
Wed May 08 11:37:25.656 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 11:37:25.739 CEST 2019: Number of Peak Cluster: 14
Wed May 08 11:37:25.747 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 11:37:25.891 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Wed May 08 11:37:26.263 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Wed May 08 11:37:26.276 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 11:37:26.294 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:37:26.306 CEST 2019: Number of consistent PNS: 4
Wed May 08 11:37:26.316 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:37:26.336 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:37:26.387 CEST 2019: Number of ASL: 24
Wed May 08 11:37:26.397 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Wed May 08 11:37:27.219 CEST 2019: Elapsed time for evaluation (IN Suite): 0.82 s.
Wed May 08 11:37:27.279 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:37:27.290 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:37:28.049 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 11:37:28.059 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:37:28.069 CEST 2019: CMC-q finished in 3.86 s.
