Mercurial > repos > jcb-mpl > eics_first_extraction
comparison src/mz_eic5_step2.sci @ 0:245b2c2b3d75 draft
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| author | jcb-mpl |
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| date | Tue, 27 Apr 2021 14:13:47 +0000 |
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| -1:000000000000 | 0:245b2c2b3d75 |
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| 1 function x_tr_mz3=mz_eic5_step2(resbary,diff_mz_min,signal_thresh,durb_wats) | |
| 2 | |
| 3 // avant 8jan20: function [x_tr_mz3,resbary]=mz_eic5_step2(resbary,diff_mz_min,signal_thresh,durb_wats) | |
| 4 | |
| 5 // fonction qui suit: mz_eic5_step1 | |
| 6 | |
| 7 // cette fonction mobilise les fonctions suivantes: | |
| 8 // exec('mz_3_extract_all_mz2.sci',-1); | |
| 9 // exec('mz_4_scan_mz_raw6.sci',-1); | |
| 10 // exec('mz_5_tr_matrix6bis.sci',-1); | |
| 11 // exec('mz_6bis_durbin_watson.sci',-1) | |
| 12 // exec('mz_6_rescan_mz2.sci',-1) | |
| 13 // exec('mz_7_dwcleaning.sci',-1) | |
| 14 | |
| 15 // Arguments: | |
| 16 // resbary: le SM au format barycentrique = centroide | |
| 17 // diff_mz_min: seuil de m/z; ex: 0,0024 | |
| 18 // signal_thresh: un signal minimum regroupant plusieurs signaux sur le même TR; ex: 30000 sur vin | |
| 19 // durb_wats: Durbin_Watson; on recherche durb_wats=0; ex de seuil: 1 | |
| 20 | |
| 21 | |
| 22 // extraction de tous les m/z de resbary | |
| 23 allmz=mz_3_extract_all_mz2(resbary); | |
| 24 | |
| 25 | |
| 26 // tri de la liste de m/z | |
| 27 allmz2=mz_4_scan_mz_raw6(allmz,diff_mz_min,signal_thresh); | |
| 28 clear allmz; //8jan20 | |
| 29 | |
| 30 | |
| 31 // calcul de la matrice x_tr_mz3: | |
| 32 // avant 8jan20: [x_tr_mz,calculs_stats_tr_mz]=mz_5_tr_matrix6bis(resbary,allmz2,diff_mz_min,signal_thresh); | |
| 33 x_tr_mz=mz_5_tr_matrix6bis(resbary,allmz2,diff_mz_min,signal_thresh); | |
| 34 clear resbary allmz2; // 8jan20 | |
| 35 | |
| 36 | |
| 37 x_tr_mz2=mz_6_rescan_mz2(x_tr_mz,1.2*diff_mz_min); | |
| 38 clear x_tr_mz ; // 8jan20 | |
| 39 | |
| 40 | |
| 41 x_tr_mz3=mz_7_dwcleaning(x_tr_mz2,durb_wats); | |
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| 45 endfunction | |
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