Mon Jul 04 16:32:19.324 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:32:19.327 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F8_OS_Plate02_F8\1\pdata\1
Mon Jul 04 16:32:19.335 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:32:19.339 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:32:19.341 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:32:19.373 CEST 2022: No HSQC data available
Mon Jul 04 16:32:19.384 CEST 2022: No C13 data available
Mon Jul 04 16:32:19.394 CEST 2022: No HMBC data available
Mon Jul 04 16:32:19.401 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:32:19.422 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:32:19.523 CEST 2022: Structure is used: true
Mon Jul 04 16:32:19.547 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F8_OS_Plate02_F8/1/F8_OS_Plate02_F8-c1687ff7-af18-48fd-87c3-7d43f54a2a47.mol
Mon Jul 04 16:32:19.549 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:32:19.569 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:32:19.571 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:32:19.575 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:32:19.577 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:32:19.580 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:32:19.582 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:32:19.585 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:32:19.590 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:32:19.592 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:32:19.595 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:32:19.598 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:32:19.600 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 16:32:19.602 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:32:19.605 CEST 2022: RMSD noise: 29231953.225 (12.669/12.169)
Mon Jul 04 16:32:19.607 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:32:19.610 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:32:19.613 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:32:19.637 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:32:19.738 CEST 2022: Number of Peaks: (79, 10)
Mon Jul 04 16:32:19.741 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:32:19.744 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:32:19.767 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:32:19.769 CEST 2022: Signal-to-Noise ratio: 7778.41 (2.057 ppm)
Mon Jul 04 16:32:19.772 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:32:19.775 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:19.777 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:32:19.798 CEST 2022: Number of Multiplets: 139
Mon Jul 04 16:32:19.801 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:32:19.862 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:32:19.874 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:32:19.889 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:32:20.023 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:32:20.035 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:32:20.040 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:32:20.044 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:32:20.047 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:32:20.049 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:32:20.131 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Mon Jul 04 16:32:20.171 CEST 2022: Elapsed time for evaluation (IN Suite): 0.04 s.
Mon Jul 04 16:32:20.223 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:32:20.574 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:32:20.578 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:20.580 CEST 2022: CMC-q finished in 1.26 s.
