Mon Jul 04 16:23:05.238 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:23:05.241 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D9_OS_Plate011_D9\1\pdata\1
Mon Jul 04 16:23:05.248 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:23:05.251 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:23:05.254 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:23:05.295 CEST 2022: No HSQC data available
Mon Jul 04 16:23:05.306 CEST 2022: No C13 data available
Mon Jul 04 16:23:05.317 CEST 2022: No HMBC data available
Mon Jul 04 16:23:05.325 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:23:05.364 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon Jul 04 16:23:05.468 CEST 2022: Structure is used: true
Mon Jul 04 16:23:05.471 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D9_OS_Plate011_D9/1/D9_OS_Plate11_D9-4ad87233-f7c4-4804-b969-2a617194a094.mol
Mon Jul 04 16:23:05.473 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:23:05.501 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:23:05.503 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.03 s.
Mon Jul 04 16:23:05.506 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:23:05.509 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:23:05.511 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:23:05.513 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:23:05.516 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:23:05.521 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:23:05.523 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:23:05.526 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:23:05.528 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:23:05.531 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 16:23:05.533 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:23:05.535 CEST 2022: RMSD noise: 30097102.663 (11.851/11.352)
Mon Jul 04 16:23:05.537 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:23:05.540 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:23:05.544 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:23:05.567 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:23:05.635 CEST 2022: Number of Peaks: (55, 9)
Mon Jul 04 16:23:05.638 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:23:05.641 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:23:05.713 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.07 s.
Mon Jul 04 16:23:05.716 CEST 2022: Signal-to-Noise ratio: 709.89 (7.187 ppm)
Mon Jul 04 16:23:05.719 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:23:05.721 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:23:05.724 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:23:05.736 CEST 2022: Number of Multiplets: 88
Mon Jul 04 16:23:05.739 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:23:05.772 CEST 2022: Number of Peak Cluster: 20
Mon Jul 04 16:23:05.778 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:23:05.791 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:23:05.918 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:23:05.923 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:23:05.926 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:23:05.929 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:23:05.932 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:23:05.936 CEST 2022: Number of consistent PNS: 25
Mon Jul 04 16:23:05.938 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:23:05.942 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:23:05.944 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:23:06.531 CEST 2022: Elapsed time for evaluation (BU Suite): 0.60 s.
Mon Jul 04 16:23:06.587 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:23:06.590 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:23:06.932 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:23:06.935 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:23:06.937 CEST 2022: CMC-q finished in 1.70 s.
