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Addition of fitted widths to the store areas function. #3

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Addition of fitted widths to the store areas function. #3

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3e4d2b8
Update gf3_subs.c
Allentro Aug 4, 2022
f582b2b
Update gf3_subs.c
Allentro Aug 4, 2022
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59 changes: 19 additions & 40 deletions src/gf3_subs.c
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Original file line number Diff line number Diff line change
Expand Up @@ -71,7 +71,7 @@ struct {
char namesp[8], filnam[80];
float spec[16384];
float stoc[20][35], stodc[20][35]; /* stored areas and centroids */
float stoa[20][35], stoda[20][35], stoe[20][35], stode[20][35];
float stoa[20][35], stoda[20][35], stoe[20][35], stode[20][35], stow[20][35], stodw[20][35];
int isto[20];
char namsto[560];
float wtsp[16384]; /* fit weight mode and spectrum */
Expand Down Expand Up @@ -1381,27 +1381,8 @@ int autofit(float *sens, int lo_ch, int hi_ch)

first = 1;
quit_next = 0;
if (lo_ch > 0 && hi_ch - lo_ch > 20) {
x1 = gf3gd.mch[0] = lo_ch;
x2 = gf3gd.mch[1] = hi_ch;
} else {
printf("If the results of this routine are unsatisfactory,\n"
" try playing with the starting width parameters,\n"
" or the initial estimates of the other parameters.\n\n"
"Use cursor to limits of fitted region, X to exit...\n");
retic(&x1, &y, ans);
if (ans[0] == 'X' || ans[0] == 'x') return 0;
retic(&x2, &y, ans);
if (ans[0] == 'X' || ans[0] == 'x') return 0;
ready = 0;
if (x1 > x2) {
gf3gd.mch[1] = rint(x1);
gf3gd.mch[0] = rint(x2);
} else {
gf3gd.mch[0] = rint(x1);
gf3gd.mch[1] = rint(x2);
}
}
x1 = gf3gd.mch[0] = 200;
x2 = gf3gd.mch[1] = 8000;
/* do peak search */
x = (x1 + x2) / 2.f;
fwhm0 = sqrt(gf3gd.swpars[0] + gf3gd.swpars[1] * x + gf3gd.swpars[2]
Expand Down Expand Up @@ -3830,15 +3811,11 @@ int gfexec(char *ans, int nc)
gf3gd.disp = 0;
} else if (!strncmp(ans, "AF", 2)) {
/* autofit spectrum */
if (gf3gd.disp) {
lo = hi = 0;
if (ffin(ans + 2, nc-2, &sens, &fj1, &fj2)) goto BADCMD;
lo = fj1 + 0.5f;
hi = fj2 + 0.5f;
autofit(&sens, lo, hi);
} else {
printf("Bad command: Spectrum not yet displayed...\n");
}
lo = hi = 0;
if (ffin(ans + 2, nc-2, &sens, &fj1, &fj2)) goto BADCMD;
lo = 200;
hi = 8000;
autofit(&sens, lo, hi);
} else if (!strncmp(ans, "AG", 2)) {
/* adjust gain of spectrum */
numch = gf3gd.maxch + 1;
Expand Down Expand Up @@ -5867,7 +5844,6 @@ int slice(char *ans, int nc)
if (!(winfile = open_new_file(ans, 0))) winmod = 0;
return 0;
} /* slice */

/* ======================================================================= */
int startwid(char *ans, int nc)
{
Expand Down Expand Up @@ -5900,7 +5876,7 @@ int startwid(char *ans, int nc)
gf3gd.infixrw = 1 - caskyn("Do you want the relative widths to be fixed by default? (Y/N)");
return 0;
} /* startwid */

/* list_params */
/* ======================================================================= */
int storac(int in)
{
Expand All @@ -5925,12 +5901,15 @@ int storac(int in)
}
gf3gd.isto[idata - 1] = gf3gd.npks;
for (i = 0; i < gf3gd.npks; ++i) {
k = i*3 + 6;
gf3gd.stoc [idata-1][i] = gf3gd.cents [i];
gf3gd.stodc[idata-1][i] = gf3gd.dcents[i];
gf3gd.stoa [idata-1][i] = gf3gd.areas [i];
gf3gd.stoda[idata-1][i] = gf3gd.dareas[i];
gf3gd.stoe [idata-1][i] = 0.f;
gf3gd.stode[idata-1][i] = 0.f;
gf3gd.stoa [idata-1][i] = gf3gd.areas [i];
gf3gd.stoda[idata-1][i] = gf3gd.dareas[i];
gf3gd.stow [idata-1][i] = gf3gd.pars[k+1];
gf3gd.stodw[idata-1][i] = gf3gd.errs[k+1];
energy(gf3gd.cents[i], gf3gd.dcents[i],
&gf3gd.stoe [idata-1][i],
&gf3gd.stode[idata-1][i]);
Expand All @@ -5951,15 +5930,15 @@ int storac(int in)
if (!(file2 = fopen(outfn, "a+"))) file2 = open_new_file(outfn, 0);
if (!file2) return 1;
fprintf(file2, " No. Centroid +- error Area +- error "
" Energy +- error Sp.name Date Time\n");
" Width +- error Sp.name Date Time\n");
for (i = 0; i < 35; ++i) {
for (j = 0; j < 20; ++j) {
if (gf3gd.isto[j] > i) {
fprintf(file2,
"%3d%11.4f%9.4f%11.0f%9.0f%11.4f%9.4f %.8s %s\n", j+1,
gf3gd.stoc[j][i], gf3gd.stodc[j][i],
gf3gd.stoa[j][i], gf3gd.stoda[j][i],
gf3gd.stoe[j][i], gf3gd.stode[j][i],
"%3d %11.4f %9.4f %11.0f %9.0f %11.4f %9.4f %.8s %s\n", j+1,
gf3gd.stoc[j][i] ,gf3gd.stodc[j][i],
gf3gd.stoa[j][i] ,gf3gd.stoda[j][i],
gf3gd.stow[j][i] ,gf3gd.stodw[j][i],
gf3gd.namsto + j* 28, gf3gd.namsto + j* 28 + 8);
}
}
Expand Down