Mon Jul 04 16:32:27.037 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:32:27.040 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A9_OS_Plate02_A9\1\pdata\1
Mon Jul 04 16:32:27.047 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:32:27.051 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:32:27.053 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:32:27.085 CEST 2022: No HSQC data available
Mon Jul 04 16:32:27.095 CEST 2022: No C13 data available
Mon Jul 04 16:32:27.105 CEST 2022: No HMBC data available
Mon Jul 04 16:32:27.112 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:32:27.133 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:32:27.242 CEST 2022: Structure is used: true
Mon Jul 04 16:32:27.245 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A9_OS_Plate02_A9/1/A9_OS_Plate02_A9-70b8faaf-d753-40e8-b1b9-40062a4fa414.mol
Mon Jul 04 16:32:27.247 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:32:27.259 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:32:27.261 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:32:27.264 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:32:27.267 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:32:27.269 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:32:27.271 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:32:27.274 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:32:27.278 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:32:27.281 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:32:27.284 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:32:27.286 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:32:27.289 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 16:32:27.291 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:32:27.294 CEST 2022: RMSD noise: 29940709.433 (8.583/8.083)
Mon Jul 04 16:32:27.296 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:32:27.299 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:32:27.303 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:32:27.327 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:32:27.424 CEST 2022: Number of Peaks: (74, 16)
Mon Jul 04 16:32:27.451 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:32:27.454 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:32:27.482 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:32:27.485 CEST 2022: Signal-to-Noise ratio: 11794.18 (2.020 ppm)
Mon Jul 04 16:32:27.488 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:32:27.490 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:27.492 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:32:27.506 CEST 2022: Number of Multiplets: 98
Mon Jul 04 16:32:27.508 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:32:27.554 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:32:27.560 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:32:27.570 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:32:27.734 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:32:27.741 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:32:27.745 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:32:27.749 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:32:27.751 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:32:27.754 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:32:27.794 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:32:28.239 CEST 2022: Elapsed time for evaluation (IN Suite): 0.44 s.
Mon Jul 04 16:32:28.299 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:32:28.642 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:32:28.645 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:28.648 CEST 2022: CMC-q finished in 1.61 s.
