Wed May 08 09:16:58.769 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:16:58.785 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_20\1\pdata\1
Wed May 08 09:16:58.801 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:16:58.816 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:16:58.816 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:16:58.832 CEST 2019: No HSQC data available
Wed May 08 09:16:58.863 CEST 2019: No C13 data available
Wed May 08 09:16:58.879 CEST 2019: No HMBC data available
Wed May 08 09:16:58.879 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:16:58.926 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:16:59.316 CEST 2019: Structure is used: true
Wed May 08 09:16:59.349 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_20/1/58.mol
Wed May 08 09:16:59.349 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.41 s.
Wed May 08 09:16:59.364 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:16:59.380 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:16:59.380 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:16:59.396 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:16:59.396 CEST 2019: Spectrum is suppressed.
Wed May 08 09:16:59.411 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:16:59.411 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:16:59.427 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:16:59.443 CEST 2019: Expected impurity: TSP
Wed May 08 09:16:59.443 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:16:59.474 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 09:16:59.474 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 09:16:59.489 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 09:16:59.489 CEST 2019: RMSD noise: 647.311 (5.856/5.357)
Wed May 08 09:16:59.505 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:16:59.505 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:16:59.521 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:16:59.552 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:16:59.693 CEST 2019: Number of Peaks: (34, 8)
Wed May 08 09:16:59.708 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Wed May 08 09:16:59.708 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:16:59.724 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:16:59.724 CEST 2019: Signal-to-Noise ratio: 985.50 (7.064 ppm)
Wed May 08 09:16:59.739 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:16:59.739 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:16:59.755 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Wed May 08 09:16:59.786 CEST 2019: Number of Multiplets: 93
Wed May 08 09:16:59.802 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:16:59.849 CEST 2019: Number of Peak Cluster: 10
Wed May 08 09:16:59.871 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:17:00.043 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Wed May 08 09:17:00.356 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Wed May 08 09:17:00.372 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:17:00.388 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:17:00.388 CEST 2019: Number of consistent PNS: 3
Wed May 08 09:17:00.403 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:17:00.419 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:17:00.497 CEST 2019: Number of ASL: 36
Wed May 08 09:17:00.497 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Wed May 08 09:17:00.575 CEST 2019: Elapsed time for evaluation (IN Suite): 0.07 s.
Wed May 08 09:17:00.606 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:17:00.606 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:17:01.200 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Wed May 08 09:17:01.200 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:17:01.216 CEST 2019: CMC-q finished in 2.45 s.
