Mon Jul 04 16:33:07.011 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:33:07.014 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A11_OS_Plate02_A11\1\pdata\1
Mon Jul 04 16:33:07.021 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:33:07.025 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:33:07.028 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:33:07.066 CEST 2022: No HSQC data available
Mon Jul 04 16:33:07.077 CEST 2022: No C13 data available
Mon Jul 04 16:33:07.089 CEST 2022: No HMBC data available
Mon Jul 04 16:33:07.096 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:33:07.118 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:33:07.232 CEST 2022: Structure is used: true
Mon Jul 04 16:33:07.236 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A11_OS_Plate02_A11/1/A11_OS_Plate02_A11-7a05d43b-3d07-41d0-aae6-eec128e45c29.mol
Mon Jul 04 16:33:07.238 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:33:07.266 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:33:07.269 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.03 s.
Mon Jul 04 16:33:07.272 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:33:07.275 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:33:07.277 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:33:07.281 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:33:07.284 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:33:07.289 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:33:07.291 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:33:07.294 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:33:07.297 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:33:07.300 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 16:33:07.302 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:33:07.305 CEST 2022: RMSD noise: 30641536.291 (10.217/9.717)
Mon Jul 04 16:33:07.307 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:33:07.310 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:33:07.314 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:33:07.338 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:33:07.436 CEST 2022: Number of Peaks: (79, 14)
Mon Jul 04 16:33:07.463 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:33:07.466 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:33:07.514 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:33:07.516 CEST 2022: Signal-to-Noise ratio: 2317.99 (4.017 ppm)
Mon Jul 04 16:33:07.519 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:33:07.522 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:33:07.524 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.28 s.
Mon Jul 04 16:33:07.553 CEST 2022: Number of Multiplets: 181
Mon Jul 04 16:33:07.556 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:33:07.610 CEST 2022: Number of Peak Cluster: 26
Mon Jul 04 16:33:07.616 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:33:07.628 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:33:07.778 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:33:07.795 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:33:07.800 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:33:07.804 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:33:07.806 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:33:07.813 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:33:07.841 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:33:08.075 CEST 2022: Elapsed time for evaluation (IN Suite): 0.23 s.
Mon Jul 04 16:33:08.127 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:33:08.494 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:33:08.497 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:33:08.500 CEST 2022: CMC-q finished in 1.49 s.
