Mon Jul 04 16:12:54.038 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:12:54.041 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F8_OS_Plate01_F8\1\pdata\1
Mon Jul 04 16:12:54.049 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:12:54.052 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:12:54.055 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:12:54.155 CEST 2022: No HSQC data available
Mon Jul 04 16:12:54.168 CEST 2022: No C13 data available
Mon Jul 04 16:12:54.180 CEST 2022: No HMBC data available
Mon Jul 04 16:12:54.187 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:12:54.205 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:12:54.333 CEST 2022: Structure is used: true
Mon Jul 04 16:12:54.350 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F8_OS_Plate01_F8/1/F8_OS_Plate1_F8-3397db9c-fdcc-4bf4-a855-c341750c7809.mol
Mon Jul 04 16:12:54.353 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:12:54.359 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:12:54.362 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:12:54.365 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:12:54.368 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:12:54.370 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:12:54.372 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:12:54.375 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:12:54.379 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:12:54.381 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:12:54.384 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:12:54.387 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:12:54.389 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 16:12:54.391 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:12:54.394 CEST 2022: RMSD noise: 28383690.277 (-2.860/-3.359)
Mon Jul 04 16:12:54.396 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:12:54.399 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:12:54.404 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:12:54.427 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:12:54.515 CEST 2022: Number of Peaks: (78, 10)
Mon Jul 04 16:12:54.517 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:12:54.520 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:12:55.282 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.76 s.
Mon Jul 04 16:12:55.286 CEST 2022: Signal-to-Noise ratio: 1892.01 (2.840 ppm)
Mon Jul 04 16:12:55.289 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:12:55.292 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:12:55.295 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.94 s.
Mon Jul 04 16:12:55.315 CEST 2022: Number of Multiplets: 141
Mon Jul 04 16:12:55.317 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:12:55.366 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:12:55.373 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:12:55.385 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:12:55.518 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:12:55.525 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:12:55.529 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:12:55.533 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:12:55.536 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:12:55.538 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:12:55.681 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.14 s.
Mon Jul 04 16:12:55.785 CEST 2022: Elapsed time for evaluation (IN Suite): 0.09 s.
Mon Jul 04 16:12:55.836 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:12:56.206 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:12:56.209 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:12:56.211 CEST 2022: CMC-q finished in 2.17 s.
