Wed May 08 09:15:01.728 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:15:01.728 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_12\1\pdata\1
Wed May 08 09:15:01.743 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:15:01.759 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:15:01.776 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:15:01.791 CEST 2019: No HSQC data available
Wed May 08 09:15:01.807 CEST 2019: No C13 data available
Wed May 08 09:15:01.823 CEST 2019: No HMBC data available
Wed May 08 09:15:01.838 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 09:15:01.901 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:15:02.177 CEST 2019: Structure is used: true
Wed May 08 09:15:02.193 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_12/1/89.mol
Wed May 08 09:15:02.193 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.29 s.
Wed May 08 09:15:02.209 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:15:02.224 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:15:02.224 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:15:02.240 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:15:02.240 CEST 2019: Spectrum is suppressed.
Wed May 08 09:15:02.255 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:15:02.255 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:15:02.271 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:15:02.271 CEST 2019: Expected impurity: TSP
Wed May 08 09:15:02.287 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:15:02.287 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 09:15:02.302 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 09:15:02.302 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:15:02.318 CEST 2019: RMSD noise: 720.888 (0.403/-0.097)
Wed May 08 09:15:02.318 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:15:02.334 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:15:02.334 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:15:02.380 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:15:02.568 CEST 2019: Number of Peaks: (55, 11)
Wed May 08 09:15:02.568 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 09:15:02.583 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:15:02.583 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:15:02.599 CEST 2019: Signal-to-Noise ratio: 3107.07 (2.283 ppm)
Wed May 08 09:15:02.599 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:15:02.615 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:15:02.615 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.41 s.
Wed May 08 09:15:02.662 CEST 2019: Number of Multiplets: 100
Wed May 08 09:15:02.662 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:15:02.755 CEST 2019: Number of Peak Cluster: 18
Wed May 08 09:15:02.771 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 09:15:02.818 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 09:15:03.146 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Wed May 08 09:15:03.161 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:15:03.177 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:15:03.193 CEST 2019: Number of consistent PNS: 1
Wed May 08 09:15:03.193 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:15:03.208 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:15:03.224 CEST 2019: Number of ASL: 2
Wed May 08 09:15:03.240 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Wed May 08 09:15:03.255 CEST 2019: Elapsed time for evaluation (IN Suite): 0.01 s.
Wed May 08 09:15:03.271 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:15:03.286 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:15:03.926 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.66 s.
Wed May 08 09:15:03.942 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:15:03.942 CEST 2019: CMC-q finished in 2.21 s.
