Mon Jul 04 16:50:14.112 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:50:14.115 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B2_OS_Plate06_B2\1\pdata\1
Mon Jul 04 16:50:14.122 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:50:14.126 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:50:14.129 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:50:14.156 CEST 2022: No HSQC data available
Mon Jul 04 16:50:14.166 CEST 2022: No C13 data available
Mon Jul 04 16:50:14.176 CEST 2022: No HMBC data available
Mon Jul 04 16:50:14.182 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:50:14.203 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:50:14.283 CEST 2022: Structure is used: true
Mon Jul 04 16:50:14.308 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B2_OS_Plate06_B2/1/B2_OS_Plate06_B2-978431ff-b1ee-47ea-b0a8-2325163f34ce.mol
Mon Jul 04 16:50:14.311 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:50:14.329 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:50:14.331 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:50:14.334 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:50:14.337 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:50:14.339 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:50:14.342 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:50:14.344 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:50:14.349 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:50:14.351 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:50:14.355 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:50:14.357 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:50:14.360 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 16:50:14.362 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:50:14.365 CEST 2022: RMSD noise: 28776309.723 (-2.860/-3.359)
Mon Jul 04 16:50:14.368 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:50:14.371 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:50:14.375 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:50:14.399 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:50:14.506 CEST 2022: Number of Peaks: (104, 10)
Mon Jul 04 16:50:14.509 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:50:14.511 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:50:14.524 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:50:14.527 CEST 2022: Signal-to-Noise ratio: 12317.64 (7.776 ppm)
Mon Jul 04 16:50:14.530 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:50:14.532 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:14.535 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:50:14.559 CEST 2022: Number of Multiplets: 143
Mon Jul 04 16:50:14.562 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:50:14.628 CEST 2022: Number of Peak Cluster: 38
Mon Jul 04 16:50:14.634 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:50:14.647 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:50:14.812 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:50:14.831 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:50:14.837 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:50:14.840 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:50:14.844 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:14.847 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:50:14.857 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:50:14.921 CEST 2022: Elapsed time for evaluation (IN Suite): 0.06 s.
Mon Jul 04 16:50:14.972 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:50:14.975 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:50:15.321 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:50:15.324 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:15.326 CEST 2022: CMC-q finished in 1.21 s.
