Mon Jul 04 16:20:54.950 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:20:54.953 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B3_OS_Plate011_B3\1\pdata\1
Mon Jul 04 16:20:54.960 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:20:54.964 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:20:54.967 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:20:55.023 CEST 2022: No HSQC data available
Mon Jul 04 16:20:55.035 CEST 2022: No C13 data available
Mon Jul 04 16:20:55.048 CEST 2022: No HMBC data available
Mon Jul 04 16:20:55.058 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:20:55.080 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:20:55.219 CEST 2022: Structure is used: true
Mon Jul 04 16:20:55.236 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B3_OS_Plate011_B3/1/B3_OS_Plate11_B3-cd8ed609-522c-4e3a-93d9-653492b085cf.mol
Mon Jul 04 16:20:55.238 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.16 s.
Mon Jul 04 16:20:55.255 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:20:55.257 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:20:55.261 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:20:55.263 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:20:55.265 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:20:55.268 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:20:55.270 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:20:55.275 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:20:55.277 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:20:55.280 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:20:55.283 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:20:55.285 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 16:20:55.288 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:20:55.290 CEST 2022: RMSD noise: 31083509.458 (10.217/9.717)
Mon Jul 04 16:20:55.293 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:20:55.296 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:20:55.299 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:20:55.324 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:20:55.411 CEST 2022: Number of Peaks: (79, 12)
Mon Jul 04 16:20:55.414 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:20:55.417 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:20:55.436 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:20:55.439 CEST 2022: Signal-to-Noise ratio: 3386.76 (2.120 ppm)
Mon Jul 04 16:20:55.442 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:20:55.445 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:20:55.447 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:20:55.465 CEST 2022: Number of Multiplets: 140
Mon Jul 04 16:20:55.468 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:20:55.524 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 16:20:55.530 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:20:55.543 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:20:55.689 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:20:55.706 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:20:55.711 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:20:55.715 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:20:55.717 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:20:55.723 CEST 2022: Number of consistent PNS: 40
Mon Jul 04 16:20:55.726 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:20:55.731 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:20:55.733 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:20:56.452 CEST 2022: Elapsed time for evaluation (BU Suite): 0.73 s.
Mon Jul 04 16:20:56.502 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:20:56.504 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:20:56.853 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:20:56.856 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:20:56.859 CEST 2022: CMC-q finished in 1.91 s.
