Wed May 08 11:58:22.256 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:58:22.256 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_34\1\pdata\1
Wed May 08 11:58:22.287 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:58:22.303 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:58:22.303 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:58:22.350 CEST 2019: No HSQC data available
Wed May 08 11:58:22.398 CEST 2019: No C13 data available
Wed May 08 11:58:22.445 CEST 2019: No HMBC data available
Wed May 08 11:58:22.445 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:58:22.526 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 11:58:23.168 CEST 2019: Structure is used: true
Wed May 08 11:58:23.199 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_34/1/C10.mol
Wed May 08 11:58:23.215 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.67 s.
Wed May 08 11:58:23.246 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:58:23.262 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:58:23.262 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:58:23.278 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:58:23.278 CEST 2019: Spectrum is suppressed.
Wed May 08 11:58:23.293 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:58:23.309 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:58:23.309 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:58:23.324 CEST 2019: Expected impurity: TSP
Wed May 08 11:58:23.340 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:58:23.340 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 11:58:23.357 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 11:58:23.357 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:58:23.373 CEST 2019: RMSD noise: 645.561 (9.492/8.992)
Wed May 08 11:58:23.388 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:58:23.388 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:58:23.404 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:58:23.451 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:58:23.810 CEST 2019: Number of Peaks: (96, 42)
Wed May 08 11:58:23.841 CEST 2019: Elapsed time for evaluation (PP Suite): 0.38 s.
Wed May 08 11:58:23.857 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:58:23.857 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:58:23.872 CEST 2019: Signal-to-Noise ratio: 1351.76 (7.368 ppm)
Wed May 08 11:58:23.888 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:58:23.888 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:58:23.904 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.68 s.
Wed May 08 11:58:24.044 CEST 2019: Number of Multiplets: 230
Wed May 08 11:58:24.060 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.15 s.
Wed May 08 11:58:24.216 CEST 2019: Number of Peak Cluster: 25
Wed May 08 11:58:24.216 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Wed May 08 11:58:24.263 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 11:58:24.842 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.56 s.
Wed May 08 11:58:24.905 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.05 s.
Wed May 08 11:58:24.936 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 11:58:24.951 CEST 2019: Number of consistent PNS: 5
Wed May 08 11:58:24.967 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:58:24.983 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:58:37.236 CEST 2019: Number of ASL: 603
Wed May 08 11:58:37.247 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 12.25 s.
Wed May 08 11:58:40.288 CEST 2019: Elapsed time for evaluation (IN Suite): 3.03 s.
Wed May 08 11:58:40.336 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:58:40.349 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:58:41.183 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.88 s.
Wed May 08 11:58:41.193 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:58:41.205 CEST 2019: CMC-q finished in 18.95 s.
