Mon Jul 04 16:28:13.596 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:28:13.598 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A10_OS_Plate012_A10\1\pdata\1
Mon Jul 04 16:28:13.606 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:28:13.609 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:28:13.612 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:28:13.746 CEST 2022: No HSQC data available
Mon Jul 04 16:28:13.758 CEST 2022: No C13 data available
Mon Jul 04 16:28:13.769 CEST 2022: No HMBC data available
Mon Jul 04 16:28:13.777 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:28:13.798 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:28:13.904 CEST 2022: Structure is used: true
Mon Jul 04 16:28:13.922 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A10_OS_Plate012_A10/1/A10_OS_Plate12_A10-f5db62e8-1711-49ec-b1a5-e3dcb1ac54eb.mol
Mon Jul 04 16:28:13.925 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:28:14.026 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:28:14.029 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.10 s.
Mon Jul 04 16:28:14.032 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:28:14.034 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:28:14.037 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:28:14.039 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:28:14.042 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:28:14.046 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:28:14.049 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:28:14.052 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:28:14.054 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:28:14.056 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 16:28:14.059 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:28:14.061 CEST 2022: RMSD noise: 31025931.253 (9.400/8.900)
Mon Jul 04 16:28:14.063 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:28:14.067 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:28:14.071 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:28:14.095 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:28:14.158 CEST 2022: Number of Peaks: (47, 7)
Mon Jul 04 16:28:14.161 CEST 2022: Elapsed time for evaluation (PP Suite): 0.06 s.
Mon Jul 04 16:28:14.163 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:28:14.269 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.10 s.
Mon Jul 04 16:28:14.273 CEST 2022: Signal-to-Noise ratio: 600.16 (7.710 ppm)
Mon Jul 04 16:28:14.275 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:28:14.278 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:28:14.281 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.35 s.
Mon Jul 04 16:28:14.291 CEST 2022: Number of Multiplets: 67
Mon Jul 04 16:28:14.294 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:28:14.324 CEST 2022: Number of Peak Cluster: 16
Mon Jul 04 16:28:14.330 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.03 s.
Mon Jul 04 16:28:14.335 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:28:14.438 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.10 s.
Mon Jul 04 16:28:14.442 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:28:14.446 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:28:14.450 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:28:14.452 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:28:14.455 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:28:14.500 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:28:14.557 CEST 2022: Elapsed time for evaluation (IN Suite): 0.05 s.
Mon Jul 04 16:28:14.612 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:28:14.987 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Mon Jul 04 16:28:14.990 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:28:14.992 CEST 2022: CMC-q finished in 1.40 s.
