Mon Jul 04 16:22:08.314 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:22:08.317 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D6_OS_Plate011_D6\1\pdata\1
Mon Jul 04 16:22:08.325 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:22:08.329 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:22:08.332 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:22:08.368 CEST 2022: No HSQC data available
Mon Jul 04 16:22:08.379 CEST 2022: No C13 data available
Mon Jul 04 16:22:08.391 CEST 2022: No HMBC data available
Mon Jul 04 16:22:08.408 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:22:08.430 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:22:08.514 CEST 2022: Structure is used: true
Mon Jul 04 16:22:08.517 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D6_OS_Plate011_D6/1/D6_OS_Plate11_D6-ba187aeb-c504-49b4-a863-71fbf0c5bc78.mol
Mon Jul 04 16:22:08.519 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:22:08.530 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:22:08.533 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:22:08.536 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:22:08.539 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:22:08.542 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:22:08.544 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:22:08.547 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:22:08.552 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:22:08.554 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:22:08.557 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:22:08.560 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:22:08.562 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 16:22:08.565 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:22:08.567 CEST 2022: RMSD noise: 30772624.946 (-2.040/-2.539)
Mon Jul 04 16:22:08.570 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:22:08.573 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:22:08.578 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:22:08.602 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:22:08.689 CEST 2022: Number of Peaks: (66, 5)
Mon Jul 04 16:22:08.697 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:22:08.723 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:22:08.783 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:22:08.786 CEST 2022: Signal-to-Noise ratio: 6394.36 (2.986 ppm)
Mon Jul 04 16:22:08.789 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:22:08.792 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:08.794 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.27 s.
Mon Jul 04 16:22:08.811 CEST 2022: Number of Multiplets: 105
Mon Jul 04 16:22:08.813 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:22:08.859 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:22:08.865 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:22:08.872 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:22:09.014 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:22:09.019 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:22:09.024 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:22:09.029 CEST 2022: Number of consistent PNS: 8
Mon Jul 04 16:22:09.032 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:22:09.035 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:22:09.310 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.27 s.
Mon Jul 04 16:22:09.450 CEST 2022: Elapsed time for evaluation (IN Suite): 0.13 s.
Mon Jul 04 16:22:09.504 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:22:09.862 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:22:09.870 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:09.872 CEST 2022: CMC-q finished in 1.56 s.
