Mon Jul 04 16:46:17.030 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:46:17.033 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C3_OS_Plate05_C3\1\pdata\1
Mon Jul 04 16:46:17.041 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:46:17.045 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:46:17.048 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:46:17.073 CEST 2022: No HSQC data available
Mon Jul 04 16:46:17.085 CEST 2022: No C13 data available
Mon Jul 04 16:46:17.098 CEST 2022: No HMBC data available
Mon Jul 04 16:46:17.106 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:46:17.129 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:46:17.236 CEST 2022: Structure is used: true
Mon Jul 04 16:46:17.256 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C3_OS_Plate05_C3/1/3_OS_Plate05_C3.mol
Mon Jul 04 16:46:17.259 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:46:17.270 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:46:17.273 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:46:17.276 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:46:17.279 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:46:17.282 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:46:17.284 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:46:17.286 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:46:17.291 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:46:17.294 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:46:17.297 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:46:17.299 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:46:17.302 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 16:46:17.304 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:46:17.307 CEST 2022: RMSD noise: 29659484.186 (9.400/8.900)
Mon Jul 04 16:46:17.309 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:46:17.312 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:46:17.316 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:46:17.340 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:46:17.437 CEST 2022: Number of Peaks: (87, 14)
Mon Jul 04 16:46:17.440 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:46:17.443 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:46:17.457 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:46:17.459 CEST 2022: Signal-to-Noise ratio: 3661.62 (2.905 ppm)
Mon Jul 04 16:46:17.462 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:46:17.465 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:17.467 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:46:17.486 CEST 2022: Number of Multiplets: 103
Mon Jul 04 16:46:17.489 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:46:17.543 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 16:46:17.550 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:46:17.562 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:46:17.727 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:46:17.743 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:46:17.748 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:46:17.752 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:46:17.755 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:46:17.757 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:46:17.773 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:46:17.942 CEST 2022: Elapsed time for evaluation (IN Suite): 0.17 s.
Mon Jul 04 16:46:17.995 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:46:18.355 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:46:18.359 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:18.361 CEST 2022: CMC-q finished in 1.33 s.
