Mon Jul 04 16:35:42.814 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:35:42.816 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H5_OS_Plate03_H5\1\pdata\1
Mon Jul 04 16:35:42.824 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:35:42.828 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:35:42.831 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:35:42.856 CEST 2022: No HSQC data available
Mon Jul 04 16:35:42.868 CEST 2022: No C13 data available
Mon Jul 04 16:35:42.879 CEST 2022: No HMBC data available
Mon Jul 04 16:35:42.887 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:35:42.906 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:35:43.002 CEST 2022: Structure is used: true
Mon Jul 04 16:35:43.021 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H5_OS_Plate03_H5/1/H5_OS_Plate03_H5-e998904e-cc03-43a9-8a78-3faa9c7de849.mol
Mon Jul 04 16:35:43.023 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:35:43.030 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:35:43.033 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:35:43.036 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:35:43.039 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:35:43.041 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:35:43.043 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:35:43.046 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:35:43.050 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:35:43.053 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:35:43.056 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:35:43.059 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:35:43.061 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 16:35:43.064 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:35:43.066 CEST 2022: RMSD noise: 29829175.482 (12.669/12.169)
Mon Jul 04 16:35:43.069 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:35:43.072 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:35:43.076 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:35:43.100 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:35:43.176 CEST 2022: Number of Peaks: (59, 11)
Mon Jul 04 16:35:43.179 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:35:43.182 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:35:43.195 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:35:43.198 CEST 2022: Signal-to-Noise ratio: 5074.99 (2.105 ppm)
Mon Jul 04 16:35:43.201 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:35:43.204 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:35:43.206 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.18 s.
Mon Jul 04 16:35:43.217 CEST 2022: Number of Multiplets: 82
Mon Jul 04 16:35:43.220 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:35:43.262 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:35:43.268 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:35:43.279 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:35:43.397 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:35:43.403 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:35:43.408 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:35:43.412 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:35:43.414 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:35:43.417 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:35:43.437 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:35:43.553 CEST 2022: Elapsed time for evaluation (IN Suite): 0.11 s.
Mon Jul 04 16:35:43.608 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:35:43.980 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:35:43.983 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:35:43.986 CEST 2022: CMC-q finished in 1.17 s.
