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Usage: paulbackground2 [-i] [-bgs] [-o omnibusfilename] [-oi omnibusinputfile] [-p degree] [-1 lowwavenumber] [-2 highwavenumber] [-a #anchors] [-z low1 high1 [-z low2 high2] ... ] [-pz low1 high1 [-pz low2 high2] ... ] [-f fixedanchor1 [-f fixedanchor2] ... ] [-x low 1 high1 [-x low2 high2] ... ] [-g linearpoint1 [-g linearpoint2] ... ] [-Z epoxyfilename] [-Zp peaklocation] infile1 [infile2] [infile3]... -i puts you in interactive mode, giving you a chance to set all other parameters as prompted. -bgs means output the subtracted spectrum, otherwise the background itself is output. -o means assemble all output spectra into one omnibus file, in addition to the separate files. -oi means echo all input spectra into a single file, for your convenience. -p means polynomial fit, otherwise cubic spline is used. The background is fitted between lowwavenumber and highwavenumber, using #anchors anchor points. The -z parameter indicates a subregion of organic peaks to be copied into background after fitting. The -pz parameter indicates really troublesome regions to be replaced with lines before fitting. The -f points are wavenumbers of manually fixed anchors. The -x ranges are forbidden areas - the program will not pick anchors in these regions. Wavenumber ranges containing a g-point will be fitted with lines, not splines. -Z indicates that epoxy contamination spectrum epoxyfilename is to be subtracted. If -Zp is given then the epoxy intensity is determined at peaklocation, otherwise at 3925.126. Defaults: -bg, lowwavenumber = 1100, highwavenumber = 3970, #anchors = 25, no zap, no fixed anchors Note: Please ensure that all spectra run together in a single execution are sampled at exactly the same wavenumbers! -bgs-i-o-oi-p-1-2-a-z-pz-x-f-g-Z-ZpWelcome to paulbackground2 interactive mode! Step 1a. Enter 'y' to output the subtracted spectrum (default: output the background): %sStep 1b. Enter 'y' to output an omnibus file (default: only the separate output files): Step 1bb. Omnibus output filename: Step 1c. Enter 'y' to assemble inputs into an omnibus file (default: don't do this): Step 1cc. Omnibus input spectra filename: Step 2. Enter 'y' for polynomial fit (default: cubic spline fit): Step 2a. Degree of polynomial fit (enter 0 for default: %d): %dStep 3a. Enter low wavenumber limit of fitted range (enter 0 for default: %f): %lfStep 3b. Enter low wavenumber limit of fitted range (enter 0 for default: %f): Step 4. Enter maximum number of anchors (enter 0 for default %d): Step 5. How many fixed anchor points do you want to add (now there are %d; enter 0 for no more): Step 5-%d. Wavenumber of new fixed anchor number %d: Outside fitted range, rejected. Try again. Step 6. How many linear (non-spline) segments do you want to define (now there are %d; enter 0 for no more): Step 6-%d. Wavenumber within new linear segment %d: Step 7. How many regions to copy peaks into background (now there are %d; enter 0 for no more): Step 7-%da. Low wavenumber limit of new zap region %d: Step 7-%db. High wavenumber limit of new zap region %d: One of those limits is outside fitted range, rejected. Try again. Step 8. How many regions to replace with lines before fitting (now there are %d; enter 0 for no more): Step 8-%da. Low wavenumber limit of new pre-zap region %d: Step 8-%db. High wavenumber limit of new pre-zap region %d: Step 9. How many regions to forbid from anchoring (now there are %d; enter 0 for no more): Step 9-%da. Low wavenumber limit of new forbidden region %d: Step 9-%db. High wavenumber limit of new firbidden region %d: Step 10. Do you want to subtract an epoxy spectrum (1 for yes, 0 for no): Step 10a. What is the filename of the backgrounded epoxy spectrum csv: Step 10b. What wavenumber do you want to use to determine the expoy scaling (0 = default 3925.126): Step 11. How many input files not already given on command line (now there are %d; enter 0 for no more): Next input filename: rCould not open file %s Reading file %s ,%lf,%lfWARNING: The first wavenumber in spectrum %s does not match the first spectrum... Only use spectra together that are sampled at exactly the same wavenumbers. The program will continue now, but the results are not guaranteed. bgs.csvbg.csvwCould not write file %s Writing file %s Could not open epoxy file, skipping epoxy subtraction. %g,%g Could not open omnibus input file %s, oops. %s %g,%g Could not open omnibus file %s, oops. 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char:t(0,9)short int:t(0,10)__sbuf:T(0,11)=s8_base:(0,8),0,32;_size:(0,1),32,32;;void:t(0,13)fpos_t:t(0,20)off_t:t(0,21)quad_t:t(0,22)int64_t:t(0,23)long long int:t(0,24)long unsigned int:t(0,32)=r(0,32);0000000000000;0037777777777;fp2:(0,5)q:(0,1)i:(0,1)j:(0,1)n:(0,1)n1:(0,1)n2:(0,1)a:(0,33)=ar(0,30);0;100;(0,1)z:(0,1)arglist:(0,34)=*(0,1)nanchors:(0,1)z1:(0,1)z2:(0,1)pz1:(0,1)pz2:(0,1)nf:(0,1)nz:(0,1)xed:(0,1)Zflag:(0,1)epoxypeakn:(0,1)npz:(0,1)bgflag:(0,1)ng:(0,1)pflag:(0,1)pdegree:(0,1)gflag:(0,1)iflag:(0,1)zarg:(0,1)oflag:(0,1)oiflag:(0,1)no:(0,1)o:(0,1)nx:(0,1)ne:(0,1)x:(0,35)=*(0,36)=r(0,1);8;0;double:t(0,36)spec:(0,35)back:(0,35)x1:(0,36)x2:(0,36)hold:(0,36)xray:(0,37)=ar(0,30);0;100;(0,36)y:(0,37)yy:(0,37)max:(0,36)swap:(0,36)x00:(0,36)zap1:(0,38)=ar(0,30);0;19;(0,36)zap2:(0,38)pzap1:(0,38)pzap2:(0,38)xr1:(0,38)xr2:(0,38)f:(0,38)g:(0,38)oback:(0,39)=*(0,35)iback:(0,39)epoxyx:(0,35)epoxyy:(0,35)epoxypeakx:(0,36)epoxyscale:(0,36)file1:(0,40)=ar(0,30);0;255;(0,4)file2:(0,40)ofile:(0,40)ifile:(0,40)line:(0,41)=ar(0,30);0;99;(0,4)c:(0,42)=ar(0,30);0;19;(0,4)allfiles:(0,43)=ar(0,30);0;4999;(0,4)epoxyfile:(0,40)w:(0,35)coeffs:(0,35)v:(0,39)a:(0,39)yes:(0,34)clomp:(0,36)spline:F(0,13)x:p(0,35)y:p(0,35)n:p(0,1)yp1:p(0,36)ypn:p(0,36)y2:p(0,35)i:(0,1)k:(0,1)p:(0,36)qn:(0,36)sig:(0,36)un:(0,36)u:(0,35)_klo.0_khi.1splint:F(0,13)xa:p(0,35)ya:p(0,35)y2a:p(0,35)n:p(0,1)x:p(0,36)y:p(0,35)klo:V(0,1)khi:V(0,1)k:(0,1)h:(0,36)b:(0,36)a:(0,36)paulgetline:F(0,3)line:p(0,3)nchars:p(0,1)fp:p(0,5)c:(0,4)startline:(0,3)n:(0,1)/Volumes/ShinyHappyPeople/users/paulasimow/disorient/nrutil.cgcc2_compiled._rcsidnrerror:F(0,1)=(0,1)void:t(0,1)error_text:p(0,2)=*(0,3)=r(0,3);0;127;char:t(0,3)vector:F(0,4)=*(0,5)=r(0,0);8;0;double:t(0,5)nl:p(0,6)=r(0,6);-2147483648;2147483647;nh:p(0,6)int:t(0,6)v:(0,4)ivector:F(0,7)=*(0,6)nl:p(0,6)nh:p(0,6)v:(0,7)dvector:F(0,4)nl:p(0,6)nh:p(0,6)v:(0,4)matrix:F(0,8)=*(0,4)nrl:p(0,6)nrh:p(0,6)ncl:p(0,6)nch:p(0,6)i:(0,6)m:(0,8)dmatrix:F(0,8)nrl:p(0,6)nrh:p(0,6)ncl:p(0,6)nch:p(0,6)i:(0,6)m:(0,8)imatrix:F(0,9)=*(0,7)nrl:p(0,6)nrh:p(0,6)ncl:p(0,6)nch:p(0,6)i:(0,6)m:(0,9)submatrix:F(0,8)a:p(0,8)oldrl:p(0,6)oldrh:p(0,6)oldcl:p(0,6)oldch:p(0,6)newrl:p(0,6)newcl:p(0,6)i:(0,6)j:(0,6)m:(0,8)free_vector:F(0,1)v:p(0,4)nl:p(0,6)nh:p(0,6)free_ivector:F(0,1)v:p(0,7)nl:p(0,6)nh:p(0,6)free_dvector:F(0,1)v:p(0,4)nl:p(0,6)nh:p(0,6)free_matrix:F(0,1)m:p(0,8)nrl:p(0,6)nrh:p(0,6)ncl:p(0,6)nch:p(0,6)i:(0,6)free_dmatrix:F(0,1)m:p(0,8)nrl:p(0,6)nrh:p(0,6)ncl:p(0,6)nch:p(0,6)i:(0,6)free_imatrix:F(0,1)m:p(0,9)nrl:p(0,6)nrh:p(0,6)ncl:p(0,6)nch:p(0,6)i:(0,6)free_submatrix:F(0,1)b:p(0,8)nrl:p(0,6)nrh:p(0,6)ncl:p(0,6)nch:p(0,6)convert_matrix:F(0,8)a:p(0,4)nrl:p(0,6)nrh:p(0,6)ncl:p(0,6)nch:p(0,6)i:(0,6)j:(0,6)nrow:(0,6)ncol:(0,6)m:(0,8)free_convert_matrix:F(0,1)b:p(0,8)nrl:p(0,6)nrh:p(0,6)ncl:p(0,6)nch:p(0,6)zbrent:F(0,5)func:p(0,10)=*(0,11)=f(0,5)xx1:p(0,5)xx2:p(0,5)tol:p(0,5)iter:(0,6)a:(0,5)b:(0,5)c:(0,5)d:(0,5)e:(0,5)min1:(0,5)min2:(0,5)fa:(0,5)fb:(0,5)fc:(0,5)p:(0,5)q:(0,5)r:(0,5)s:(0,5)tol1:(0,5)xm:(0,5)rcsid:S(0,12)=ar(0,13)=r(0,13);0000000000000;0037777777777;;0;61;(0,14)=k(0,3)long unsigned int:t(0,15)=r(0,15);0000000000000;0037777777777;/Volumes/ShinyHappyPeople/users/paulasimow/disorient/sva.cgcc2_compiled._rcsid_pythagpythag:f(0,1)=r(0,0);8;0;double:t(0,1)a:p(0,1)b:p(0,1)absa:(0,1)absb:(0,1)svdcmp:F(0,2)=(0,2)void:t(0,2)a:p(0,3)=*(0,4)=*(0,1)m:p(0,5)=r(0,5);-2147483648;2147483647;n:p(0,5)w:p(0,4)v:p(0,3)int:t(0,5)flag:(0,5)i:(0,5)its:(0,5)j:(0,5)jj:(0,5)k:(0,5)l:(0,5)nm:(0,5)anorm:(0,1)c:(0,1)f:(0,1)g:(0,1)h:(0,1)s:(0,1)scale:(0,1)x:(0,1)y:(0,1)z:(0,1)rv1:(0,4)svbksb:F(0,2)u:p(0,3)w:p(0,4)v:p(0,3)m:p(0,5)n:p(0,5)b:p(0,4)e:p(0,6)=*(0,5)x:p(0,4)jj:(0,5)j:(0,5)i:(0,5)s:(0,1)tmp:(0,4)rcsid:S(0,7)=ar(0,8)=r(0,8);0000000000000;0037777777777;;0;58;(0,9)=k(0,10)=r(0,10);0;127;long unsigned int:t(0,11)=r(0,11);0000000000000;0037777777777;char:t(0,10)