Mon Jul 04 16:26:56.576 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:26:56.579 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A7_OS_Plate012_A7\1\pdata\1
Mon Jul 04 16:26:56.587 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:26:56.590 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:26:56.593 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:26:56.889 CEST 2022: No HSQC data available
Mon Jul 04 16:26:56.901 CEST 2022: No C13 data available
Mon Jul 04 16:26:56.912 CEST 2022: No HMBC data available
Mon Jul 04 16:26:56.928 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:26:57.838 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.91 s.
Mon Jul 04 16:26:57.994 CEST 2022: Structure is used: true
Mon Jul 04 16:26:57.997 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A7_OS_Plate012_A7/1/A7_OS_Plate12_A7-9b2289dd-e4be-4b66-8fed-99394890cb2e.mol
Mon Jul 04 16:26:57.999 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.16 s.
Mon Jul 04 16:26:58.105 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:26:58.108 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.11 s.
Mon Jul 04 16:26:58.111 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:26:58.113 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:26:58.116 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:26:58.118 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:26:58.121 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:26:58.125 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:26:58.128 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:26:58.131 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:26:58.133 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:26:58.136 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 16:26:58.138 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:26:58.141 CEST 2022: RMSD noise: 29337924.250 (10.217/9.717)
Mon Jul 04 16:26:58.143 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:26:58.146 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:26:58.150 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:26:58.173 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:26:58.249 CEST 2022: Number of Peaks: (64, 10)
Mon Jul 04 16:26:58.253 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:26:58.255 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:26:58.318 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:26:58.322 CEST 2022: Signal-to-Noise ratio: 16978.28 (1.629 ppm)
Mon Jul 04 16:26:58.324 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:26:58.327 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:26:58.329 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.33 s.
Mon Jul 04 16:26:58.343 CEST 2022: Number of Multiplets: 97
Mon Jul 04 16:26:58.346 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:26:58.389 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:26:58.395 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:26:58.409 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:26:58.537 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:26:58.571 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:26:58.575 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:26:58.578 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:26:58.581 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:26:58.585 CEST 2022: Number of consistent PNS: 15
Mon Jul 04 16:26:58.587 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:26:58.590 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:26:58.593 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:26:58.980 CEST 2022: Elapsed time for evaluation (BU Suite): 0.40 s.
Mon Jul 04 16:26:59.030 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:26:59.032 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:26:59.364 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:26:59.367 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:26:59.370 CEST 2022: CMC-q finished in 2.79 s.
