Badanie równania regresji liniowej y = a0 +a1x |
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Standardowe entalpie tworzenia gazowych n-alkanów (T0 = 298,15 K) w funkcji liczby atomów węgla |
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A. Obliczenie "ręczne" na podstawie wzorów |
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Dane |
Sumy pomocnicze |
Analiza odchyleń |
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Liczba atomów węgla (x) |
DH0tw [kJ/mol] (y) |
x2 |
y2 |
xy |
yoblicz |
y-yobilcz |
(y-yobilcz)2 |
y-yśrednie |
(y-yśrednie)2 |
x-xśrednie |
(x-xśrednie)2 |
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y średnie |
1 |
-74.85 |
1.00 |
5602.79 |
-74.85 |
-65.89 |
-8.967 |
80.4028 |
185.56 |
34434.21 |
-9.50 |
90.25 |
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-260.42 |
2 |
-84.68 |
4.00 |
7171.41 |
-169.37 |
-86.36 |
1.678 |
2.8151 |
175.73 |
30881.80 |
-8.50 |
72.25 |
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3 |
-103.85 |
9.00 |
10784.17 |
-311.54 |
-106.84 |
2.992 |
8.9528 |
156.57 |
24514.00 |
-7.50 |
56.25 |
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x średnie |
4 |
-126.15 |
16.00 |
15913.22 |
-504.59 |
-127.32 |
1.168 |
1.3652 |
134.27 |
18028.10 |
-6.50 |
42.25 |
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wariancja |
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10.5 |
5 |
-146.44 |
25.00 |
21444.67 |
-732.20 |
-147.79 |
1.353 |
1.8306 |
113.98 |
12990.61 |
-5.50 |
30.25 |
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5.59505675431111 |
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6 |
-167.19 |
36.00 |
27953.38 |
-1003.16 |
-168.27 |
1.077 |
1.1607 |
93.22 |
8690.66 |
-4.50 |
20.25 |
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7 |
-187.78 |
49.00 |
35260.55 |
-1314.45 |
-188.75 |
0.969 |
0.9391 |
72.64 |
5276.34 |
-3.50 |
12.25 |
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8 |
-208.45 |
64.00 |
43450.10 |
-1667.58 |
-209.22 |
0.777 |
0.6039 |
51.97 |
2700.83 |
-2.50 |
6.25 |
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9 |
-229.03 |
81.00 |
52455.73 |
-2061.29 |
-229.70 |
0.669 |
0.4473 |
31.38 |
984.97 |
-1.50 |
2.25 |
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10 |
-249.66 |
100.00 |
62329.76 |
-2496.59 |
-250.18 |
0.519 |
0.2691 |
10.76 |
115.71 |
-0.50 |
0.25 |
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11 |
-270.29 |
121.00 |
73054.74 |
-2973.15 |
-270.66 |
0.369 |
0.1359 |
-9.87 |
97.42 |
0.50 |
0.25 |
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12 |
-290.87 |
144.00 |
84606.33 |
-3490.46 |
-291.13 |
0.260 |
0.0678 |
-30.46 |
927.53 |
1.50 |
2.25 |
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13 |
-311.50 |
169.00 |
97031.50 |
-4049.48 |
-311.61 |
0.110 |
0.0121 |
-51.08 |
2609.42 |
2.50 |
6.25 |
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14 |
-332.13 |
196.00 |
110307.63 |
-4649.76 |
-332.09 |
-0.040 |
0.0016 |
-71.71 |
5142.26 |
3.50 |
12.25 |
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15 |
-352.75 |
225.00 |
124434.71 |
-5291.30 |
-352.56 |
-0.190 |
0.0361 |
-92.34 |
8526.07 |
4.50 |
20.25 |
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16 |
-373.34 |
256.00 |
139381.50 |
-5973.41 |
-373.04 |
-0.298 |
0.0890 |
-112.92 |
12751.37 |
5.50 |
30.25 |
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17 |
-393.92 |
289.00 |
155175.80 |
-6696.70 |
-393.52 |
-0.407 |
0.1653 |
-133.51 |
17824.19 |
6.50 |
42.25 |
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18 |
-414.55 |
324.00 |
171852.30 |
-7461.91 |
-413.99 |
-0.557 |
0.3099 |
-154.13 |
23757.41 |
7.50 |
56.25 |
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19 |
-435.14 |
361.00 |
189343.34 |
-8267.58 |
-434.47 |
-0.665 |
0.4422 |
-174.72 |
30526.96 |
8.50 |
72.25 |
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20 |
-455.76 |
400.00 |
207720.02 |
-9115.26 |
-454.95 |
-0.815 |
0.6644 |
-195.35 |
38160.36 |
9.50 |
90.25 |
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Sumy pomocnicze = |
210.00 |
-5208.33 |
2870.00 |
1635273.64 |
-68304.64 |
-5208.33 |
0.00 |
100.71 |
0.00 |
278940.20 |
0.00 |
665.00 |
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Liczba punktów = |
20 |
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Liczba stopni swobody wariancji resztkowej= |
18 |
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Resztkowe odchylenie standardowe = |
2.365 |
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Regresyjna suma kwadratów = |
278839.49 |
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Kwadrat współczynnika korelacji R2 = |
0.999639 |
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Współczynniki równania y = a0 +a1x |
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Ufność a = |
0.050 |
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Wartość krytyczna ta = |
2.1009 |
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Współczynnik |
Wartość |
Błąd standard. |
Przedział ufności |
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Da |
min. |
maks. |
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a1 |
-20.4770 |
= |
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a0 |
-45.4079 |
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Badanie istotności korelacji liniowej |
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Ufność a = |
0.050 |
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Wartość krytyczna Fa = |
4.4139 |
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Wartość obliczona F = |
49836.7579 |
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Czy korelacja jest istotna ? |
tak |
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Prawdopodobieństwo błędu I rodzaju: |
1.9339E-32 |
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Badanie równania regresji liniowej y = a0 +a1x |
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Standardowe entalpie tworzenia gazowych n-alkanów (T0 = 298,15 K) w funkcji liczby atomów węgla |
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B. Obliczenie za pomocą funkcji REGLINP() |
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Parametry funkcji REGLINP() |
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Dobierz również a0 : |
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Dane |
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Statystyka |
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Liczba atomów węgla (x) |
DH0tw [kJ/mol] (y) |
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Tablica zwrócona przez funkcję REGLINP() |
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1 |
-74.85 |
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a |
b |
Wyniki zawarte w poszczególnych polach tablicy |
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2 |
-84.68 |
1 |
-20.4770 |
-45.4079 |
1a) Współczynnik a1 |
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3 |
-103.85 |
2 |
0.0917 |
1.0988 |
1b) Współczynnik a 0 |
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4 |
-126.15 |
3 |
0.999638951211881 |
2.365 |
2a) Błąd standardowy współczynnika a1 |
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5 |
-146.44 |
4 |
49836.758116668 |
18 |
2b) Błąd standardowy współczynnika a 0 |
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6 |
-167.19 |
5 |
278839.48876524 |
100.711021090589 |
3a) Kwadrat współczynnika korelacji liniowej |
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7 |
-187.78 |
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3b) Resztkowe odchylenie standardowe |
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8 |
-208.45 |
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4a) Wartość charakterysyki obliczonej F |
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9 |
-229.03 |
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4b) Liczba stopni swobody wariancji resztkowej |
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10 |
-249.66 |
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5a) Regresyjna suma kwadratów |
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11 |
-270.29 |
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5b) Resztkowa suma kwadratów |
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12 |
-290.87 |
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13 |
-311.50 |
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14 |
-332.13 |
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15 |
-352.75 |
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16 |
-373.34 |
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17 |
-393.92 |
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18 |
-414.55 |
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19 |
-435.14 |
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20 |
-455.76 |
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Istotność wyrazu wolnego (przecięcia) |
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Nadmiarowa entalpia rozpuszczania układu czterochlorek węgla (A) - cykloheksan (B) (wg. Proc. Roy. Soc., A, 226, (1954)) |
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A. Test istotności wyrazu wolnego |
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Rozwiązanie za pomocą funkcji RELINP() |
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Parametry funkcji REGLINP() |
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Dobierz również a0 : |
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Statystyka |
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L. p. |
xB |
xB(1-xB) |
HE/(J/mol) |
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Tablica zwrócona przez funkcję REGLINP() |
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1 |
0.0657 |
0.0614 |
37.80 |
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43.7491375878628 |
88.5975481415667 |
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2 |
0.2335 |
0.1790 |
107.90 |
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60.8032641089666 |
32.5423018193766 |
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3 |
0.3495 |
0.2273 |
134.90 |
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0.093826703874621 |
41.2028112652447 |
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4 |
0.4715 |
0.2492 |
146.70 |
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0.517708391296704 |
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5 |
0.5955 |
0.2409 |
141.60 |
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878.89886206028 |
8488.35828079686 |
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6 |
0.7213 |
0.2010 |
118.60 |
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7 |
0.8526 |
0.1257 |
76.60 |
Badanie istotności wyrazu wolnego a0 |
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Ufność a = |
0.050 |
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Wartość krytyczna ta = |
2.5706 |
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Wartość obliczona t = |
2.9714 |
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Czy pominąć a0 ? |
nie |
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B. Powtórzenie z pominięciem wyrazu wolnego |
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Parametry funkcji REGLINP() |
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Dobierz również a0 : |
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Statystyka |
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L. p. |
xB |
xB(1-xB) |
HE/(J/mol) |
HEoblicz |
Tablica zwrócona przez funkcję REGLINP() |
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1 |
0.0657 |
0.0614 |
37.80 |
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592.976425903879 |
0 |
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2 |
0.2335 |
0.1790 |
107.90 |
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2.80421812833009 |
#N/A |
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3 |
0.3495 |
0.2273 |
134.90 |
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0.999865834236042 |
1.44031972397248 |
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4 |
0.4715 |
0.2492 |
146.70 |
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44714.7977876438 |
6 |
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5 |
0.5955 |
0.2409 |
141.60 |
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92761.7828745564 |
12.447125443585 |
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6 |
0.7213 |
0.2010 |
118.60 |
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7 |
0.8526 |
0.1257 |
76.60 |
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Współczynnik równania y = a1x |
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Ufność a = |
0.050 |
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Wartość krytyczna ta = |
2.4469 |
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Wartość |
Błąd standard. |
Przedział ufności |
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Da |
min. |
maks. |
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a1 |
592.9764 |
2.8042 |
6.8617 |
586.1148 |
599.8381 |
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Porównanie współczynnika nachylenia ze standardem |
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Pojemność cieplna miedzi w obszarze niskich temperatur (wg W.F.Giauque, P.F.Meads, J. Am. Chem. Soc., 63, 1879, (1941)) |
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A) Test współczynnika nachylenia |
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Rozwiązanie za pomocą funkcji REGLINP() |
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Parametry funkcji REGLINP() |
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Dobierz również a0 : |
1 |
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Statystyka : |
1 |
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L. p. |
T/K |
Cp/(J/mol K) |
lg T/K |
lg Cp/(J/mol K) |
|
Tablica zwrócona przez funkcję REGLINP() |
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1 |
14.70 |
0.167 |
1.1673E+00 |
-7.7635E-01 |
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3.0400412573441 |
-4.29897143655019 |
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2 |
14.82 |
0.167 |
1.1708E+00 |
-7.7635E-01 |
|
0.05882852800297 |
0.083231824366914 |
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3 |
17.63 |
0.301 |
1.2463E+00 |
-5.2108E-01 |
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0.996641090471815 |
0.034644773536255 |
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4 |
19.75 |
0.448 |
1.2956E+00 |
-3.4902E-01 |
|
2670.44102825006 |
9 |
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5 |
19.87 |
0.460 |
1.2982E+00 |
-3.3702E-01 |
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3.20522443883482 |
0.010802343000406 |
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6 |
23.35 |
0.782 |
1.3683E+00 |
-1.0657E-01 |
Badanie istotności nachylenia a1 |
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7 |
28.21 |
1.423 |
1.4504E+00 |
1.5307E-01 |
Wartość wzorcowa = |
3.0000 |
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8 |
33.52 |
2.385 |
1.5253E+00 |
3.7747E-01 |
Ufność a = |
0.050 |
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9 |
38.86 |
3.515 |
1.5895E+00 |
5.4587E-01 |
Wartość krytyczna ta = |
2.2622 |
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10 |
44.21 |
4.757 |
1.6455E+00 |
6.7735E-01 |
Wartość obliczona t = |
0.6806 |
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11 |
48.17 |
5.782 |
1.6828E+00 |
7.6210E-01 |
Czy a1 = 3,0000 ? |
tak |
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odchylenie |
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B. Wyznaczenie równania Cp = a1T3 |
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Rozwiązanie za pomocą funkcji REGLINP() |
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Parametry funkcji REGLINP() |
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Dobierz również a0 : |
0 |
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Statystyka : |
1 |
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L. p. |
T/K |
Cp/(J/mol K) |
(T/K)3 |
Cp/(J/mol K) obliczone |
|
Tablica zwrócona przez funkcję REGLINP() |
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1 |
0.00 |
- |
0.0000E+00 |
0.000 |
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5.47604562310715E-05 |
0 |
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2 |
2.00 |
- |
8.0000E+00 |
0.000 |
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1.17808413612327E-06 |
#N/A |
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3 |
4.00 |
- |
6.4000E+01 |
0.004 |
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0.995393054164771 |
0.188711237716851 |
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4 |
6.00 |
- |
2.1600E+02 |
0.012 |
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2160.63546168301 |
10 |
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5 |
8.00 |
- |
5.1200E+02 |
0.028 |
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76.9444014975137 |
0.35611931240626 |
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6 |
10.00 |
- |
1.0000E+03 |
0.055 |
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7 |
12.00 |
- |
1.7280E+03 |
0.095 |
Współczynnik równania y = a1T3 |
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8 |
14.70 |
0.167 |
3.1765E+03 |
0.174 |
Ufność a = |
0.050 |
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9 |
14.82 |
0.167 |
3.2550E+03 |
0.178 |
Wartość krytyczna ta = |
2.1199 |
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10 |
17.63 |
0.301 |
5.4797E+03 |
0.300 |
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Wartość |
Błąd standard. |
Przedział ufności |
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11 |
19.75 |
0.448 |
7.7037E+03 |
0.422 |
Da |
min. |
maks. |
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12 |
19.87 |
0.460 |
7.8450E+03 |
0.430 |
a1 |
5.4760E-05 |
1.1781E-06 |
2.4974E-06 |
5.2263E-05 |
5.7258E-05 |
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13 |
23.35 |
0.782 |
1.2731E+04 |
0.697 |
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14 |
28.21 |
1.423 |
2.2450E+04 |
1.229 |
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15 |
33.52 |
2.385 |
3.7663E+04 |
2.062 |
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16 |
38.86 |
3.515 |
5.8682E+04 |
3.213 |
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17 |
44.21 |
4.757 |
8.6410E+04 |
4.732 |
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18 |
48.17 |
5.782 |
1.1177E+05 |
6.121 |
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Porównanie współczynnika nachylenia ze standardem |
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Pojemność cieplna srebra w obszarze niskich temperatur (wg P.F. Meads, W.R.Forsythe,W.F.Giauque, J. Am. Chem. Soc., 63, 1879, (1941)) |
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A) Test współczynnika nachylenia |
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Parametry funkcji REGLINP() |
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Rozwiązanie za pomocą funkcji REGLINP() |
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|
Dobierz również a0 : |
1 |
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Statystyka : |
1 |
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|
L . p. |
T/K |
Cp/(J/mol K) |
lg T/K |
lg Cp/(J/mol K) |
|
Tablica zwrócona przez funkcję REGLINP() |
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|
1 |
14.22 |
0.561 |
1.1529E+00 |
-2.5130E-01 |
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2.93071857789124 |
-3.6069635886883 |
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2 |
14.43 |
0.636 |
1.1593E+00 |
-1.9656E-01 |
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0.0540 |
0.069829189019088 |
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3 |
14.64 |
0.598 |
1.1655E+00 |
-2.2307E-01 |
|
0.989252700625791 |
0.028089584290967 |
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4 |
15.03 |
0.720 |
1.1770E+00 |
-1.4288E-01 |
|
2945.49219462443 |
32 |
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5 |
15.07 |
0.707 |
1.1781E+00 |
-1.5052E-01 |
|
2.32406622964626 |
0.02524879186046 |
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6 |
15.34 |
0.640 |
1.1858E+00 |
-1.9372E-01 |
Badanie istotności nachylenia a1 |
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7 |
15.85 |
0.720 |
1.2000E+00 |
-1.4288E-01 |
Wartość wzorcowa = |
3.0000 |
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8 |
16.15 |
0.841 |
1.2082E+00 |
-7.5212E-02 |
Ufność a = |
0.050 |
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9 |
16.19 |
0.799 |
1.2092E+00 |
-9.7375E-02 |
Wartość krytyczna ta = |
2.0369 |
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10 |
16.99 |
1.025 |
1.2302E+00 |
1.0758E-02 |
Wartość obliczona t = |
1.2830 |
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11 |
17.06 |
1.084 |
1.2320E+00 |
3.4891E-02 |
Czy a1 = 3,0000 ? |
tak |
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12 |
17.07 |
1.038 |
1.2322E+00 |
1.6043E-02 |
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13 |
17.09 |
1.088 |
1.2327E+00 |
3.6565E-02 |
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14 |
18.23 |
1.280 |
1.2608E+00 |
1.0731E-01 |
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reglinp |
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15 |
18.49 |
1.343 |
1.2669E+00 |
1.2810E-01 |
|
0.096573177350937 |
0 |
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16 |
18.93 |
1.456 |
1.2772E+00 |
1.6317E-01 |
|
0.005895133030663 |
#N/A |
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17 |
18.99 |
1.481 |
1.2785E+00 |
1.7059E-01 |
|
0.890498220939188 |
0.699683788126004 |
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18 |
19.04 |
1.351 |
1.2797E+00 |
1.3079E-01 |
|
268.364966697696 |
33 |
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19 |
19.30 |
1.548 |
1.2856E+00 |
1.8979E-01 |
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131.380056251022 |
16.1553943110897 |
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20 |
20.11 |
1.761 |
1.3034E+00 |
2.4587E-01 |
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21 |
21.28 |
2.017 |
1.3280E+00 |
3.0464E-01 |
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22 |
21.60 |
1.749 |
1.3345E+00 |
2.4277E-01 |
|
ufność |
0.05 |
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23 |
21.69 |
2.138 |
1.3363E+00 |
3.3001E-01 |
|
wart krytyczna |
|
2.0369333434601 |
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24 |
21.80 |
2.075 |
1.3385E+00 |
3.1707E-01 |
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Błąd standard. |
Przedział ufności |
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25 |
21.90 |
2.188 |
1.3404E+00 |
3.4009E-01 |
|
a1 |
wartość |
Da |
min. |
maks. |
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26 |
22.00 |
2.268 |
1.3424E+00 |
3.5559E-01 |
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0.096573177350937 |
0.005895133030663 |
0.01200799303429 |
0.084565184316647 |
0.108581170385227 |
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27 |
23.78 |
2.732 |
1.3762E+00 |
4.3650E-01 |
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28 |
24.48 |
2.833 |
1.3888E+00 |
4.5218E-01 |
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29 |
24.98 |
3.151 |
1.3976E+00 |
4.9839E-01 |
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30 |
25.27 |
3.176 |
1.4026E+00 |
5.0183E-01 |
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31 |
25.93 |
3.414 |
1.4138E+00 |
5.3328E-01 |
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32 |
27.29 |
3.841 |
1.4360E+00 |
5.8443E-01 |
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33 |
28.50 |
4.171 |
1.4548E+00 |
6.2029E-01 |
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34 |
28.61 |
4.284 |
1.4565E+00 |
6.3189E-01 |
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|
lg T/K^3 |
Cp/(J/mol K) obliczone |
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1 |
1.5324E+00 |
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2 |
1.5579E+00 |
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3 |
1.5834E+00 |
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4 |
1.6304E+00 |
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5 |
1.6352E+00 |
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6 |
1.6675E+00 |
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7 |
1.7281E+00 |
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8 |
1.7635E+00 |
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9 |
1.7683E+00 |
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10 |
1.8617E+00 |
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11 |
1.8699E+00 |
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12 |
1.8710E+00 |
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13 |
1.8733E+00 |
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14 |
2.0041E+00 |
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15 |
2.0336E+00 |
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16 |
2.0832E+00 |
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17 |
2.0899E+00 |
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18 |
2.0955E+00 |
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19 |
2.1246E+00 |
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20 |
2.2143E+00 |
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21 |
2.3419E+00 |
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22 |
2.3764E+00 |
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23 |
2.3860E+00 |
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24 |
2.3978E+00 |
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25 |
2.4085E+00 |
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26 |
2.4192E+00 |
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27 |
2.6065E+00 |
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28 |
2.6787E+00 |
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29 |
2.7299E+00 |
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30 |
2.7593E+00 |
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31 |
2.8260E+00 |
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32 |
2.9612E+00 |
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33 |
3.0793E+00 |
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34 |
3.0899E+00 |
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Regresja linearyzowana |
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Szybkość reakcji enzymatycznej (wg. J.Chem.Educ., 489, 71, (6), 1994) przeliczona na 1mg enzymu |
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Obliczenie za pomocą funkcji REGLINP() |
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Parametry funkcji REGLINP() |
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Dobierz również a0 : |
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Statystyka |
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1. Linearyzacja wg. Woolfa - Lineweavera - Burka |
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Stężenie substratu S/(mmol/dm3) |
Szybkość reakcji v/(mmol/min) |
1/S |
1/v |
v-voblicz |
(v-voblicz)2 |
v obl |
Tablica zwrócona przez funkcję REGLINP() |
Wyznaczone wartości stałych |
|
0.138 |
0.148 |
7.246 |
6.757 |
0.0084 |
7.06E-05 |
0.139596845022933 |
0.752793754890425 |
1.70845846853616 |
Vmax = |
0.5853 |
0.220 |
0.171 |
4.545 |
5.848 |
-0.0239 |
5.72E-04 |
0.194922340721033 |
0.078154481951294 |
0.303266163739827 |
KM = |
0.4406 |
0.291 |
0.234 |
3.436 |
4.274 |
0.0012 |
1.42E-06 |
0.232808349581231 |
0.958668222261856 |
0.429123630807198 |
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0.560 |
0.324 |
1.786 |
3.086 |
-0.0036 |
1.28E-05 |
0.327575320179465 |
92.7778358178032 |
4 |
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0.766 |
0.390 |
1.305 |
2.564 |
0.0184 |
3.39E-04 |
0.371578973690142 |
17.0847685303265 |
0.736588362068609 |
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1.460 |
0.493 |
0.685 |
2.028 |
0.0434 |
1.88E-03 |
0.449626008622208 |
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Liczba punktów = |
6 |
Resztkowe odchylenie standardowe = |
2.68E-02 |
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0.001 |
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2. Linearyzacja wg. Woolfa - Eadiego |
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Stężenie substratu S/(mmol/dm3) |
Szybkość reakcji v/(mmol/min) |
v/S |
v |
v-voblicz |
(v-voblicz)2 |
v oblicz |
Tablica zwrócona przez funkcję REGLINP() |
Wyznaczone wartości stałych |
0.138 |
0.148 |
1.072 |
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= |
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Vmax = |
|
0.220 |
0.171 |
0.777 |
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KM = |
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0.291 |
0.234 |
0.804 |
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0.560 |
0.324 |
0.579 |
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0.766 |
0.390 |
0.509 |
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1.460 |
0.493 |
0.338 |
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Liczba punktów = |
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Resztkowe odchylenie standardowe = |
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3. Linearyzacja wg. Hanesa - Hofstee |
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Stężenie substratu S/(mmol/dm3) |
Szybkość reakcji v/(mmol/min) |
S |
S/v |
v-voblicz |
(v-voblicz)2 |
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Tablica zwrócona przez funkcję REGLINP() |
Wyznaczone wartości stałych |
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0.138 |
0.148 |
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Vmax = |
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0.220 |
0.171 |
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KM = |
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0.291 |
0.234 |
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0.560 |
0.324 |
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0.766 |
0.390 |
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1.460 |
0.493 |
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Liczba punktów = |
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Resztkowe odchylenie standardowe = |
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