Quantitative Analyse von Protein-Massenspektren
Quantitative Analyse von Protein-Massenspektren Quantitative Analyse von Protein-Massenspektren
88 Molekül Massen Referenz Manuell MaxEnt In-House Lösung Basislinie: nicht abgezogen QA1 QA2 QA3 AK2 48765 4.7% 3.6% 3.9% 9.7% 5.6% 5.5% 4.5% 49983 3.4% 3.2% 2.1% 2.8% 3.4% 3.2% 3.1% 50211 29.3% 28.4% 25.8% 22.4% 24.7% 25.0% 25.2% 50373 37.8% 36.4% 34.1% 29.9% 31.9% 32.2% 32.8% 50414 6.1% 10.0% 13.8% 15.9% 14.2% 14.3% 14.6% 50536 13.8% 12.0% 12.7% 11.5% 12.6% 12.1% 12.1% 50576 5.0% 6.4% 7.6% 7.9% 7.7% 7.7% 7.7% 1.9% 3.7% 5.9% 4.3% 4.3% 4.2% Basislinie: Tal zu Tal Basislinie: Spline Basislinie: 4. Ableitung QA1 QA2 QA3 QA1 QA2 QA3 QA1 QA2 QA3 5.2% 5.2% 4.6% 5.6% 5.5% 4.6% 4.7% 4.9% 4.5% 3.7% 3.4% 3.1% 3.5% 3.2% 3.1% 3.7% 3.2% 2.9% 27.2% 27.1% 27.9% 24.6% 25.0% 25.2% 28.2% 27.2% 27.7% 34.1% 34.7% 35.6% 31.8% 32.1% 32.8% 35.5% 35.5% 35.9% 10.1% 10.4% 9.4% 14.3% 14.3% 14.6% 9.9% 9.9% 10.3% 13.4% 12.7% 12.9% 12.6% 12.1% 12.1% 12.0% 13.0% 12.8% 6.3% 6.6% 6.4% 7.7% 7.7% 7.7% 6.0% 6.3% 5.8% 2.3% 2.3% 1.7% 4.4% 4.3% 4.2% 1.9% 2.0% 1.9% Molekül Massen Referenz Manuell MaxEnt In-House Lösung Basislinie: nicht abgezogen QA1 QA2 QA3 AK3 48207 10.7% 11.2% 10.2% 5.7% 3.7% 7.9% (SK) 48296 9.7% 9.2% 5.8% 10.9% 7.3% 7.3% 48334 32.5% 34.3% 28.3% 25.5% 20.5% 21.3% 48387 3.4% 7.3% 3.5% 10.4% 11.4% 7.0% 48426 6.6% 6.3% 7.0% 4.2% 6.5% 7.7% 48455 5.3% 6.3% 4.2% 10.6% 7.0% 7.2% 48472 1.6% 0.0% 2.9% 4.4% 8.7% 5.0% 48510 15.5% 14.1% 18.3% 10.4% 11.9% 11.8% 48541 6.6% 8.9% 10.6% 9.4% 9.1% 9.1% 48560 5.7% 2.4% 6.7% 5.6% 7.5% 7.9% 48599 1.3% 0.0% 1.4% 1.6% 3.8% 5.1% 48688 1.2% 0.0% 1.1% 1.3% 2.6% 2.7% 1.9% 2.2% 4.1% 5.4% 4.2% Basislinie: Tal zu Tal Basislinie: Spline Basislinie: 4. Ableitung QA1 QA2 QA3 QA1 QA2 QA3 QA1 QA2 QA3 6.7% 12.4% 3.0% 7.6% 13.1% 11.3% 7.4% 8.0% 7.2% 7.0% 8.9% 14.0% 36.9% 37.3% 22.3% 25.5% 22.5% 38.2% 7.9% 1.4% 11.8% 6.4% 1.0% 1.1% 2.2% 4.9% 6.2% 7.2% 3.9% 4.9% 2.2% 3.3% 6.8% 7.8% 5.1% 5.5% 7.2% 1.1% 8.8% 3.2% 1.1% 0.9% 16.4% 16.2% 12.4% 13.0% 10.3% 17.1% 7.8% 8.3% 9.3% 9.3% 30.9% 4.9% 3.4% 4.8% 7.4% 7.7% 1.2% 0.8% 0.6% 1.2% 3.1% 4.2% 1.0% 0.7% 1.3% 1.2% 1.8% 1.3% 1.1% 0.7% 3.3% 1.9% 5.1% 3.0% 7.9% 2.7%
Molekül Massen Referenz Manuell MaxEnt In-House Lösung Basislinie: nicht abgezogen QA1 QA2 QA3 AK3 24142 2.7% 1.6% 10.2% 3.1% 2.6% (LK) 24159 56.5% 41.3% 43.8% 41.5% 42.1% 24181 6.2% 15.0% 15.9% 15.0% 14.9% 24200 2.7% 15.8% 6.1% 13.9% 13.6% 24246 25.8% 22.1% 20.5% 21.0% 21.3% 24334 4.2% 3.7% 3.0% 4.3% 4.3% 24424 0.8% 0.4% 0.6% 1.3% 1.2% 8.4% 7.1% 8.0% 7.8% Basislinie: Tal zu Tal Basislinie: Spline Basislinie: 4. Ableitung QA1 QA2 QA3 QA1 QA2 QA3 QA1 QA2 QA3 0.4% 0.4% 2.6% 2.3% 3.1% 7.4% 3.2% 51.3% 51.8% 42.6% 43.2% 43.5% 40.9% 43.5% 11.1% 10.6% 15.1% 14.9% 20.6% 20.3% 20.6% 10.7% 10.6% 13.8% 13.7% 12.6% 13.1% 12.6% 22.5% 22.7% 21.3% 21.3% 17.2% 15.6% 17.2% 3.3% 3.3% 3.9% 3.9% 2.4% 2.2% 2.4% 0.7% 0.6% 0.7% 0.7% 0.5% 0.5% 0.4% 4.3% 4.2% 7.7% 7.5% 8.9% 9.9% 8.9% Molekül Massen Referenz Manuell MaxEnt In-House Lösung Basislinie: nicht abgezogen QA1 QA2 QA3 AK4 49732 2.5% 3.2% 1.8% 1.7% 7.3% 5.1% 3.3% 49813 4.5% 3.8% 3.7% 2.8% 9.2% 5.3% 4.8% 50017 3.3% 4.8% 2.7% 13.7% 10.2% 11.6% 11.6% 49960 52.0% 49.0% 52.7% 39.8% 32.0% 37.9% 40.5% 50089 7.2% 6.1% 7.1% 5.9% 12.5% 8.0% 8.3% 50121 22.7% 21.3% 25.1% 11.9% 17.2% 19.1% 20.9% 50252 4.2% 5.1% 3.9% 19.9% 5.6% 5.8% 5.1% 50279 3.6% 6.7% 3.9% 4.2% 6.1% 7.1% 5.6% 1.8% 1.0% 8.8% 8.4% 6.2% 5.1% Basislinie: Tal zu Tal Basislinie: Spline Basislinie: 4. Ableitung QA1 QA2 QA3 QA1 QA2 QA3 QA1 QA2 QA3 8.0% 4.0% 2.5% 7.3% 5.1% 3.3% 5.9% 2.0% 2.7% 10.2% 4.7% 4.4% 9.2% 5.3% 4.8% 10.9% 21.2% 5.0% 4.0% 5.1% 4.6% 10.2% 11.6% 11.4% 3.8% 1.9% 4.5% 41.4% 51.1% 55.7% 32.0% 37.9% 40.6% 40.8% 40.2% 54.0% 11.5% 4.2% 4.0% 12.5% 8.0% 8.3% 12.9% 8.0% 5.6% 18.3% 22.1% 24.6% 17.2% 19.1% 20.9% 17.8% 19.4% 24.7% 2.9% 3.3% 2.3% 5.6% 5.8% 5.1% 3.1% 3.5% 1.9% 3.7% 5.5% 1.9% 6.1% 7.1% 5.6% 4.9% 3.9% 1.7% 5.2% 1.6% 2.1% 8.4% 6.2% 5.0% 5.4% 7.4% 1.6% Molekül Massen Referenz Manuell MaxEnt In-House Lösung Basislinie: nicht abgezogen QA1 QA2 QA3 AK5 50564 13.0% 12.1% 11.4% 8.8% 10.0% 9.3% 50726 18.5% 25.8% 11.7% 12.7% 12.1% 12.8% 50885 5.6% 8.7% 7.9% 8.5% 10.6% 9.2% 50693 18.7% 18.1% 12.3% 9.6% 10.0% 10.6% 50854 19.8% 20.1% 10.3% 11.2% 12.8% 11.9% 51014 2.5% 0.5% 4.8% 6.4% 7.0% 6.3% 51036 3.6% 2.6% 6.3% 6.7% 6.6% 7.4% 51195 3.1% 2.6% 6.4% 6.6% 6.1% 6.5% 51162 4.5% 3.2% 7.3% 6.9% 5.0% 6.6% 51324 3.2% 1.6% 6.4% 6.4% 7.0% 6.2% 49119 2.4% 1.4% 6.1% 7.6% 5.6% 6.3% 49248 5.1% 3.2% 9.1% 8.8% 7.4% 6.9% 2.6% 4.6% 5.1% 4.7% 4.7% 89
- Seite 38 und 39: Nach optionaler Bestimmung der Hül
- Seite 40 und 41: 40 ∂ 0 = ∂a = 2 ⇒ ⇒ R ∑
- Seite 42 und 43: 3.3. Basislinie Die Basislinie enth
- Seite 44 und 45: Liste werden durch eine kubische Sp
- Seite 46 und 47: Dieser Mechanismus funktioniert nur
- Seite 48 und 49: tionen zu berechnen, multipliziert
- Seite 50 und 51: Der Algorithmus für die Berechnung
- Seite 52 und 53: 3.5. Simulation der Peakverbreiteru
- Seite 54 und 55: die Peakbreite nicht konstant ist.
- Seite 56 und 57: Um die Parameter der Basisfunktione
- Seite 58 und 59: 58 ⎛ df1 ⎜ ⎜ dx1 J ( x) = ⎜
- Seite 60 und 61: 60 2 R =1 − SSE SSM (3.6.2.1) SSE
- Seite 62 und 63: Um diese Probleme zu umgehen, werde
- Seite 64 und 65: Möglichkeit a) konnte nach einem B
- Seite 66 und 67: Ionisierungen beschränkt. Dies kan
- Seite 68 und 69: DLL ist die Methode DLLEXPORT int M
- Seite 70 und 71: statten gehen und zweitens nicht in
- Seite 72 und 73: ten Hüllkurve gezogen. Basierend a
- Seite 74 und 75: um vertreten sind, muss man Abstric
- Seite 76 und 77: Die Auswertung der Spektren findet
- Seite 78 und 79: Bei der manuellen Quantifizierung g
- Seite 80 und 81: Ein ähnliches Bild bietet sich, we
- Seite 82 und 83: Die Daten aus Anhang A sind in Tabe
- Seite 84 und 85: Ebenso wie bei der Simulation präs
- Seite 86 und 87: Im Hinblick auf die technische Umse
- Seite 90 und 91: 90 Basislinie: Tal zu Tal Basislini
- Seite 92 und 93: B. Quantifizierungsergebnisse empir
- Seite 94 und 95: Molekül Massen Basislinie: nicht a
- Seite 96 und 97: Molekül Massen Basislinie: nicht a
- Seite 98 und 99: Auf die Abbildung der dritten Seite
- Seite 100 und 101: 100
- Seite 102 und 103: Haver05 Prof. Tom O’Haver, Introd
Molekül Massen Referenz Manuell MaxEnt<br />
In-House<br />
Lösung<br />
Basislinie: nicht abgezogen<br />
QA1 QA2 QA3<br />
AK3 24142 2.7% 1.6% 10.2% 3.1% 2.6%<br />
(LK) 24159 56.5% 41.3% 43.8% 41.5% 42.1%<br />
24181 6.2% 15.0% 15.9% 15.0% 14.9%<br />
24200 2.7% 15.8% 6.1% 13.9% 13.6%<br />
24246 25.8% 22.1% 20.5% 21.0% 21.3%<br />
24334 4.2% 3.7% 3.0% 4.3% 4.3%<br />
24424 0.8% 0.4% 0.6% 1.3% 1.2%<br />
8.4% 7.1% 8.0% 7.8%<br />
Basislinie: Tal zu Tal Basislinie: Spline Basislinie: 4. Ableitung<br />
QA1 QA2 QA3 QA1 QA2 QA3 QA1 QA2 QA3<br />
0.4% 0.4% 2.6% 2.3% 3.1% 7.4% 3.2%<br />
51.3% 51.8% 42.6% 43.2% 43.5% 40.9% 43.5%<br />
11.1% 10.6% 15.1% 14.9% 20.6% 20.3% 20.6%<br />
10.7% 10.6% 13.8% 13.7% 12.6% 13.1% 12.6%<br />
22.5% 22.7% 21.3% 21.3% 17.2% 15.6% 17.2%<br />
3.3% 3.3% 3.9% 3.9% 2.4% 2.2% 2.4%<br />
0.7% 0.6% 0.7% 0.7% 0.5% 0.5% 0.4%<br />
4.3% 4.2% 7.7% 7.5% 8.9% 9.9% 8.9%<br />
Molekül Massen Referenz Manuell MaxEnt<br />
In-House<br />
Lösung<br />
Basislinie: nicht abgezogen<br />
QA1 QA2 QA3<br />
AK4 49732 2.5% 3.2% 1.8% 1.7% 7.3% 5.1% 3.3%<br />
49813 4.5% 3.8% 3.7% 2.8% 9.2% 5.3% 4.8%<br />
50017 3.3% 4.8% 2.7% 13.7% 10.2% 11.6% 11.6%<br />
49960 52.0% 49.0% 52.7% 39.8% 32.0% 37.9% 40.5%<br />
50089 7.2% 6.1% 7.1% 5.9% 12.5% 8.0% 8.3%<br />
50121 22.7% 21.3% 25.1% 11.9% 17.2% 19.1% 20.9%<br />
50252 4.2% 5.1% 3.9% 19.9% 5.6% 5.8% 5.1%<br />
50279 3.6% 6.7% 3.9% 4.2% 6.1% 7.1% 5.6%<br />
1.8% 1.0% 8.8% 8.4% 6.2% 5.1%<br />
Basislinie: Tal zu Tal Basislinie: Spline Basislinie: 4. Ableitung<br />
QA1 QA2 QA3 QA1 QA2 QA3 QA1 QA2 QA3<br />
8.0% 4.0% 2.5% 7.3% 5.1% 3.3% 5.9% 2.0% 2.7%<br />
10.2% 4.7% 4.4% 9.2% 5.3% 4.8% 10.9% 21.2% 5.0%<br />
4.0% 5.1% 4.6% 10.2% 11.6% 11.4% 3.8% 1.9% 4.5%<br />
41.4% 51.1% 55.7% 32.0% 37.9% 40.6% 40.8% 40.2% 54.0%<br />
11.5% 4.2% 4.0% 12.5% 8.0% 8.3% 12.9% 8.0% 5.6%<br />
18.3% 22.1% 24.6% 17.2% 19.1% 20.9% 17.8% 19.4% 24.7%<br />
2.9% 3.3% 2.3% 5.6% 5.8% 5.1% 3.1% 3.5% 1.9%<br />
3.7% 5.5% 1.9% 6.1% 7.1% 5.6% 4.9% 3.9% 1.7%<br />
5.2% 1.6% 2.1% 8.4% 6.2% 5.0% 5.4% 7.4% 1.6%<br />
Molekül Massen Referenz Manuell<br />
MaxEnt<br />
In-House<br />
Lösung<br />
Basislinie: nicht abgezogen<br />
QA1 QA2 QA3<br />
AK5 50564 13.0% 12.1% 11.4% 8.8% 10.0% 9.3%<br />
50726 18.5% 25.8% 11.7% 12.7% 12.1% 12.8%<br />
50885 5.6% 8.7% 7.9% 8.5% 10.6% 9.2%<br />
50693 18.7% 18.1% 12.3% 9.6% 10.0% 10.6%<br />
50854 19.8% 20.1% 10.3% 11.2% 12.8% 11.9%<br />
51014 2.5% 0.5% 4.8% 6.4% 7.0% 6.3%<br />
51036 3.6% 2.6% 6.3% 6.7% 6.6% 7.4%<br />
51195 3.1% 2.6% 6.4% 6.6% 6.1% 6.5%<br />
51162 4.5% 3.2% 7.3% 6.9% 5.0% 6.6%<br />
51324 3.2% 1.6% 6.4% 6.4% 7.0% 6.2%<br />
49119 2.4% 1.4% 6.1% 7.6% 5.6% 6.3%<br />
49248 5.1% 3.2% 9.1% 8.8% 7.4% 6.9%<br />
2.6% 4.6% 5.1% 4.7% 4.7%<br />
89
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