Mon Jul 04 16:50:30.836 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:50:30.839 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B3_OS_Plate06_B3\1\pdata\1
Mon Jul 04 16:50:30.846 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:50:30.850 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:50:30.852 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:50:32.304 CEST 2022: No HSQC data available
Mon Jul 04 16:50:32.316 CEST 2022: No C13 data available
Mon Jul 04 16:50:32.326 CEST 2022: No HMBC data available
Mon Jul 04 16:50:32.334 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:50:32.353 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:50:32.431 CEST 2022: Structure is used: true
Mon Jul 04 16:50:32.435 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B3_OS_Plate06_B3/1/B3_OS_Plate06_B3-e29838c6-edef-4872-974f-f95c22658d48.mol
Mon Jul 04 16:50:32.437 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:50:32.448 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:50:32.451 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:50:32.454 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:50:32.456 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:50:32.458 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:50:32.461 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:50:32.463 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:50:32.467 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:50:32.470 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:50:32.472 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:50:32.475 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:50:32.477 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 16:50:32.480 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:50:32.482 CEST 2022: RMSD noise: 30368930.158 (11.851/11.352)
Mon Jul 04 16:50:32.484 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:50:32.487 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:50:32.491 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:50:32.514 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:50:32.624 CEST 2022: Number of Peaks: (108, 16)
Mon Jul 04 16:50:32.628 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:50:32.630 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:50:32.648 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:50:32.651 CEST 2022: Signal-to-Noise ratio: 58349.19 (3.613 ppm)
Mon Jul 04 16:50:32.654 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:50:32.656 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:32.659 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:50:32.682 CEST 2022: Number of Multiplets: 141
Mon Jul 04 16:50:32.685 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:50:32.758 CEST 2022: Number of Peak Cluster: 42
Mon Jul 04 16:50:32.786 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon Jul 04 16:50:32.798 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:50:32.961 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:50:32.967 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:50:32.973 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:50:32.977 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:50:32.979 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:32.982 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:50:32.994 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:50:33.023 CEST 2022: Elapsed time for evaluation (IN Suite): 0.03 s.
Mon Jul 04 16:50:33.073 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:50:33.406 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:50:33.409 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:33.412 CEST 2022: CMC-q finished in 2.58 s.
