Mon Jul 04 16:51:45.333 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:51:45.335 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F5_OS_Plate06_F5\1\pdata\1
Mon Jul 04 16:51:45.342 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:51:45.346 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:51:45.349 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:51:45.455 CEST 2022: No HSQC data available
Mon Jul 04 16:51:45.469 CEST 2022: No C13 data available
Mon Jul 04 16:51:45.482 CEST 2022: No HMBC data available
Mon Jul 04 16:51:45.489 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:51:45.584 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.09 s.
Mon Jul 04 16:51:45.694 CEST 2022: Structure is used: true
Mon Jul 04 16:51:45.697 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F5_OS_Plate06_F5/1/F5_OS_Plate06_F5-0451a2a0-f7cd-4f4a-ac29-3038aa26aeb5.mol
Mon Jul 04 16:51:45.700 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:51:46.194 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:51:46.197 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.49 s.
Mon Jul 04 16:51:46.200 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:51:46.203 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:51:46.205 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:51:46.208 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:51:46.210 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:51:46.214 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:51:46.217 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:51:46.220 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:51:46.222 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:51:46.225 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 16:51:46.227 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:51:46.230 CEST 2022: RMSD noise: 29731173.823 (8.583/8.083)
Mon Jul 04 16:51:46.232 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:51:46.236 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:51:46.241 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:51:46.267 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:51:46.374 CEST 2022: Number of Peaks: (92, 8)
Mon Jul 04 16:51:46.403 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon Jul 04 16:51:46.406 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:51:46.418 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:51:46.421 CEST 2022: Signal-to-Noise ratio: 35693.51 (1.232 ppm)
Mon Jul 04 16:51:46.424 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:51:46.426 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:51:46.429 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.73 s.
Mon Jul 04 16:51:46.447 CEST 2022: Number of Multiplets: 104
Mon Jul 04 16:51:46.450 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:51:46.497 CEST 2022: Number of Peak Cluster: 27
Mon Jul 04 16:51:46.503 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:51:46.512 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:51:46.704 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.19 s.
Mon Jul 04 16:51:46.707 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:51:46.713 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:51:46.717 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:51:46.720 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:51:46.723 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:51:46.895 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.17 s.
Mon Jul 04 16:51:46.994 CEST 2022: Elapsed time for evaluation (IN Suite): 0.09 s.
Mon Jul 04 16:51:47.048 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:51:47.383 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:51:47.386 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:51:47.389 CEST 2022: CMC-q finished in 2.06 s.
