Mon Jul 04 16:34:33.994 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:34:33.996 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D3_OS_Plate03_D3\1\pdata\1
Mon Jul 04 16:34:34.005 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:34:34.008 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:34:34.012 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:34:34.143 CEST 2022: No HSQC data available
Mon Jul 04 16:34:34.154 CEST 2022: No C13 data available
Mon Jul 04 16:34:34.164 CEST 2022: No HMBC data available
Mon Jul 04 16:34:34.172 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:34:34.195 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:34:34.332 CEST 2022: Structure is used: true
Mon Jul 04 16:34:34.335 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D3_OS_Plate03_D3/1/D3_OS_Plate03_D3-ee4d9f22-f150-463c-b37e-fcfe7a9261df.mol
Mon Jul 04 16:34:34.338 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:34:35.182 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:34:35.185 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.84 s.
Mon Jul 04 16:34:35.188 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:34:35.191 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:34:35.193 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:34:35.196 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:34:35.198 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:34:35.203 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:34:35.208 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:34:35.211 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:34:35.214 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:34:35.216 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 16:34:35.219 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:34:35.221 CEST 2022: RMSD noise: 30581768.168 (8.583/8.083)
Mon Jul 04 16:34:35.224 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:34:35.227 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:34:35.231 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:34:35.256 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:34:35.337 CEST 2022: Number of Peaks: (52, 7)
Mon Jul 04 16:34:35.364 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:34:35.366 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:34:35.381 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:34:35.384 CEST 2022: Signal-to-Noise ratio: 1431.96 (9.110 ppm)
Mon Jul 04 16:34:35.387 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:34:35.390 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:34:35.393 CEST 2022: Elapsed time for evaluation (PRE Suite): 1.05 s.
Mon Jul 04 16:34:35.406 CEST 2022: Number of Multiplets: 90
Mon Jul 04 16:34:35.409 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:34:35.450 CEST 2022: Number of Peak Cluster: 23
Mon Jul 04 16:34:35.457 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:34:35.471 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:34:35.585 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:34:35.593 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:34:35.597 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:34:35.601 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:34:35.604 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:34:35.607 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:34:35.615 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:34:35.689 CEST 2022: Elapsed time for evaluation (IN Suite): 0.07 s.
Mon Jul 04 16:34:35.744 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:34:36.104 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:34:36.108 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:34:36.111 CEST 2022: CMC-q finished in 2.12 s.
