Mon Jul 04 16:22:45.691 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:22:45.694 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C8_OS_Plate011_C8\1\pdata\1
Mon Jul 04 16:22:45.703 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:22:45.706 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:22:45.709 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:22:45.866 CEST 2022: No HSQC data available
Mon Jul 04 16:22:45.876 CEST 2022: No C13 data available
Mon Jul 04 16:22:45.887 CEST 2022: No HMBC data available
Mon Jul 04 16:22:45.895 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:22:45.915 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:22:46.007 CEST 2022: Structure is used: true
Mon Jul 04 16:22:46.040 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C8_OS_Plate011_C8/1/C8_OS_Plate11_C8-df12ef5d-7b2c-4ef9-acfd-6912a469082d.mol
Mon Jul 04 16:22:46.043 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:22:46.053 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:22:46.056 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:22:46.059 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:22:46.061 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:22:46.064 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:22:46.066 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:22:46.068 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:22:46.072 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:22:46.075 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:22:46.078 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:22:46.080 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:22:46.083 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 16:22:46.085 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:22:46.087 CEST 2022: RMSD noise: 28462286.662 (12.669/12.169)
Mon Jul 04 16:22:46.089 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:22:46.092 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:22:46.096 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:22:46.120 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:22:46.185 CEST 2022: Number of Peaks: (47, 13)
Mon Jul 04 16:22:46.188 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:22:46.191 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:22:46.248 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:22:46.251 CEST 2022: Signal-to-Noise ratio: 1803.74 (2.214 ppm)
Mon Jul 04 16:22:46.253 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:22:46.256 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:46.258 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:22:46.270 CEST 2022: Number of Multiplets: 66
Mon Jul 04 16:22:46.272 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:22:46.303 CEST 2022: Number of Peak Cluster: 17
Mon Jul 04 16:22:46.309 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.03 s.
Mon Jul 04 16:22:46.314 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:22:46.427 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:22:46.439 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:22:46.442 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:22:46.446 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:22:46.448 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:22:46.451 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:22:46.457 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:22:46.499 CEST 2022: Elapsed time for evaluation (IN Suite): 0.04 s.
Mon Jul 04 16:22:46.551 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:22:46.926 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Mon Jul 04 16:22:46.929 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:46.932 CEST 2022: CMC-q finished in 1.24 s.
