Wed May 08 16:09:53.023 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:09:53.039 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_C07\1\pdata\1
Wed May 08 16:09:53.054 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:09:53.070 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:09:53.070 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:09:53.117 CEST 2019: No HSQC data available
Wed May 08 16:09:53.165 CEST 2019: No C13 data available
Wed May 08 16:09:53.196 CEST 2019: No HMBC data available
Wed May 08 16:09:53.212 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:09:53.301 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 16:09:54.280 CEST 2019: Structure is used: true
Wed May 08 16:09:54.295 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_C07/1/C07.mol
Wed May 08 16:09:54.311 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.99 s.
Wed May 08 16:09:54.327 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:09:54.342 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:09:54.342 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:09:54.358 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:09:54.374 CEST 2019: Spectrum is suppressed.
Wed May 08 16:09:54.374 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:09:54.389 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:09:54.389 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:09:54.405 CEST 2019: Expected impurity: TSP
Wed May 08 16:09:54.420 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:09:54.436 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 16:09:54.436 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 16:09:54.453 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:09:54.453 CEST 2019: RMSD noise: 639.395 (5.856/5.357)
Wed May 08 16:09:54.469 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:09:54.484 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:09:54.500 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Wed May 08 16:09:54.547 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:09:54.844 CEST 2019: Number of Peaks: (88, 10)
Wed May 08 16:09:54.859 CEST 2019: Elapsed time for evaluation (PP Suite): 0.29 s.
Wed May 08 16:09:54.859 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:09:54.875 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:09:54.891 CEST 2019: Signal-to-Noise ratio: 4192.49 (1.813 ppm)
Wed May 08 16:09:54.891 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:09:54.906 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:09:54.922 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.60 s.
Wed May 08 16:09:54.984 CEST 2019: Number of Multiplets: 139
Wed May 08 16:09:54.984 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 16:09:55.172 CEST 2019: Number of Peak Cluster: 34
Wed May 08 16:09:55.187 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.19 s.
Wed May 08 16:09:55.265 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 16:09:55.809 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.54 s.
Wed May 08 16:09:55.825 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:09:55.841 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 16:09:55.872 CEST 2019: Number of consistent PNS: 1
Wed May 08 16:09:55.872 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:09:55.888 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:09:59.111 CEST 2019: Number of ASL: 201
Wed May 08 16:09:59.126 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.23 s.
Wed May 08 16:09:59.994 CEST 2019: Elapsed time for evaluation (IN Suite): 0.86 s.
Wed May 08 16:10:00.025 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:10:00.040 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:10:00.837 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Wed May 08 16:10:00.853 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:10:00.853 CEST 2019: CMC-q finished in 7.83 s.
