Mon Jul 04 16:16:49.196 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:16:49.198 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G5_OS_Plate09_G5\1\pdata\1
Mon Jul 04 16:16:49.206 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:16:49.210 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:16:49.213 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:16:49.244 CEST 2022: No HSQC data available
Mon Jul 04 16:16:49.255 CEST 2022: No C13 data available
Mon Jul 04 16:16:49.266 CEST 2022: No HMBC data available
Mon Jul 04 16:16:49.273 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:16:49.290 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:16:49.395 CEST 2022: Structure is used: true
Mon Jul 04 16:16:49.412 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G5_OS_Plate09_G5/1/G5_OS_Plate9_G5-d17e956e-0a64-4399-924b-06c439510e8b.mol
Mon Jul 04 16:16:49.414 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:16:49.421 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:16:49.424 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:16:49.427 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:16:49.429 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:16:49.432 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:16:49.434 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:16:49.436 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:16:49.440 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:16:49.443 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:16:49.446 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:16:49.448 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:16:49.450 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 16:16:49.452 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:16:49.454 CEST 2022: RMSD noise: 30958329.673 (9.400/8.900)
Mon Jul 04 16:16:49.457 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:16:49.460 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:16:49.463 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:16:49.487 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:16:49.566 CEST 2022: Number of Peaks: (73, 11)
Mon Jul 04 16:16:49.569 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:16:49.572 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:16:49.580 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:16:49.582 CEST 2022: Signal-to-Noise ratio: 3004.19 (3.885 ppm)
Mon Jul 04 16:16:49.585 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:16:49.587 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:16:49.590 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.17 s.
Mon Jul 04 16:16:49.605 CEST 2022: Number of Multiplets: 123
Mon Jul 04 16:16:49.608 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:16:49.658 CEST 2022: Number of Peak Cluster: 33
Mon Jul 04 16:16:49.664 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:16:49.671 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:16:49.815 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:16:49.831 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:16:49.835 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:16:49.839 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:16:49.841 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:16:49.844 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:16:49.985 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.14 s.
Mon Jul 04 16:16:50.096 CEST 2022: Elapsed time for evaluation (IN Suite): 0.11 s.
Mon Jul 04 16:16:50.146 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:16:50.480 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:16:50.484 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:16:50.486 CEST 2022: CMC-q finished in 1.29 s.
