Mon Jul 04 16:32:58.119 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:32:58.122 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E10_OS_Plate02_E10\1\pdata\1
Mon Jul 04 16:32:58.129 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:32:58.133 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:32:58.136 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:32:58.169 CEST 2022: No HSQC data available
Mon Jul 04 16:32:58.180 CEST 2022: No C13 data available
Mon Jul 04 16:32:58.192 CEST 2022: No HMBC data available
Mon Jul 04 16:32:58.208 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:32:58.230 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:32:58.333 CEST 2022: Structure is used: true
Mon Jul 04 16:32:58.336 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E10_OS_Plate02_E10/1/E10_OS_Plate02_E10-3a72d09d-7cb8-4012-8b5c-63f50132a4f9.mol
Mon Jul 04 16:32:58.339 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:32:58.351 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:32:58.353 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:32:58.357 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:32:58.359 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:32:58.362 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:32:58.364 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:32:58.366 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:32:58.371 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:32:58.374 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:32:58.377 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:32:58.379 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:32:58.382 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 16:32:58.384 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:32:58.387 CEST 2022: RMSD noise: 27823939.104 (-2.860/-3.359)
Mon Jul 04 16:32:58.389 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:32:58.392 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:32:58.396 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:32:58.421 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:32:58.509 CEST 2022: Number of Peaks: (88, 12)
Mon Jul 04 16:32:58.512 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:32:58.514 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:32:58.540 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:32:58.542 CEST 2022: Signal-to-Noise ratio: 7075.42 (2.040 ppm)
Mon Jul 04 16:32:58.545 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:32:58.548 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:58.550 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:32:58.568 CEST 2022: Number of Multiplets: 125
Mon Jul 04 16:32:58.571 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:32:58.623 CEST 2022: Number of Peak Cluster: 32
Mon Jul 04 16:32:58.629 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:32:58.641 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:32:58.780 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:32:58.811 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:32:58.816 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:32:58.820 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:32:58.823 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:32:58.825 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:32:58.838 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:32:58.971 CEST 2022: Elapsed time for evaluation (IN Suite): 0.13 s.
Mon Jul 04 16:32:59.024 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:32:59.379 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:32:59.382 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:59.385 CEST 2022: CMC-q finished in 1.27 s.
