Mon Jul 04 16:23:32.702 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:23:32.705 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A11_OS_Plate011_A11\1\pdata\1
Mon Jul 04 16:23:32.712 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:23:32.716 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:23:32.719 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:23:32.754 CEST 2022: No HSQC data available
Mon Jul 04 16:23:32.764 CEST 2022: No C13 data available
Mon Jul 04 16:23:32.775 CEST 2022: No HMBC data available
Mon Jul 04 16:23:32.814 CEST 2022: Elapsed time for evaluation (XD Suite): 0.04 s.
Mon Jul 04 16:23:32.834 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:23:32.916 CEST 2022: Structure is used: true
Mon Jul 04 16:23:32.919 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A11_OS_Plate011_A11/1/A11_OS_Plate11_A11-574f7852-8621-411a-898b-ac1cf079e8c0.mol
Mon Jul 04 16:23:32.921 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:23:32.939 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:23:32.942 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:23:32.945 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:23:32.947 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:23:32.949 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:23:32.952 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:23:32.954 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:23:32.958 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:23:32.961 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:23:32.964 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:23:32.966 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:23:32.968 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 16:23:32.971 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:23:32.973 CEST 2022: RMSD noise: 32040346.175 (-0.405/-0.905)
Mon Jul 04 16:23:32.975 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:23:32.978 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:23:32.982 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:23:33.006 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:23:33.092 CEST 2022: Number of Peaks: (77, 8)
Mon Jul 04 16:23:33.095 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:23:33.098 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:23:33.212 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.11 s.
Mon Jul 04 16:23:33.215 CEST 2022: Signal-to-Noise ratio: 2489.51 (8.177 ppm)
Mon Jul 04 16:23:33.218 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:23:33.221 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:23:33.223 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.30 s.
Mon Jul 04 16:23:33.239 CEST 2022: Number of Multiplets: 112
Mon Jul 04 16:23:33.241 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:23:33.297 CEST 2022: Number of Peak Cluster: 36
Mon Jul 04 16:23:33.303 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:23:33.312 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:23:33.445 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:23:33.475 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:23:33.480 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:23:33.483 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:23:33.486 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:23:33.488 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:23:33.492 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:23:33.501 CEST 2022: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon Jul 04 16:23:33.563 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:23:33.920 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:23:33.923 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:23:33.926 CEST 2022: CMC-q finished in 1.22 s.
