Coursera Instrumental Analysis: Linear Regression -- Example 1

(A) Find the slope and the intercept for this data
(B) Make a plot of the data and fit a trendline to it
( C) Calculate the [Lead] for a signal of 234 and 584 mamps
(D) Find the 95% CL error associated with the predictions of concentration of one measurement of signal 1200
(E) Find the 95% CL error associated with the predictions of concentration of five measurements of signal with average 1200
(F) Find the r-squared for the linear regression of the data with and without the internal standard
(G) Using the internal standard data shown below, calculate the [Lead] for 1200 mamps, and internal standard 2945
(H) Find the 95% CL error associated with the predictions of concentration of five measurements of signal with average 1200

ANALYSIS DONE ONLY FOR THE AES SIGNAL (no IS)

Known [Lead] ppm
AES Signal (mamps)
0.00
0.00
1.00
40.00
5.00
200.00
25.00
1100.00
50.00
2213.43
100.00
4199.25
150.00
6100.00
AVG
STDEV
Unknown

Given signal
1200.00

Error 1 replicate
Error 5 replicates
RSQ

ppm
ppm
0.999007215
ppm

DATA ANALYZED WITH INTERNAL STANDARD

AVG
STDEV

New "X"
Known [Lead] ppm
AES Signal (mamps)
IS (70 ppm)
Ratio Conc.
0.00
0.00
2925.00
1.00
40.00
2000.00
5.00
200.00
2700.00
25.00
1100.00
2888.00
50.00
2213.43
3080.00
100.00
4199.25
2920.00
150.00
6100.00
2900.00
47
1979
58
2366
Unknown
Given signal
IS (70 ppm)
Unknown
1200.00
2945

Error 1 replicate
Error 5 replicates

ppm
ppm

Multiple your Sxo in '

ratio units' by 70 ppm!

rement of signal 1200

ements of signal with average 1200

and internal standard 2945

rements of signal with average 1200

#1) Find Sy/x

Syx
#2) Calculate my Sxx statistic
Sxx
#3) Third term in the Sxo formula
#4) Put all together to get Sxo
ppm

New "Y"
Ratio Signals

Lead and AES (no IS dataset)

Slope
Intercept
Rsq

#1) Find Sy/x

Given signal
Syx
0.407470289 #2) Calculate my Sxx statistic

your Sxo in '

s' by 70 ppm!

Sxx
#3) Third term in the Sxo formula
#4) Put all together to get Sxo
ratio
ppm error

Coursera Instrumental Analysis: Linear Regression

(A) Find the slope and the intercept for this data
(B) Make a plot of the data and fit a trendline to it
( C) Calculate the [Lead] for a signal of 234 and 584

Example 1: Data Set 1

7000.00
6000.00

AES Signal

Slope
40.96
Intercept
42.31
Known [Lead] ppm AES Signal (mamps)
0.00
0.00
1.00
40.00
5.00
200.00
25.00
1100.00
50.00
2213.43
100.00
4199.25
150.00
6100.00
Unknown
AES signal
4.68
234

5000.00
4000.00
3000.00
2000.00
1000.00
0.00
0.00

20.00

40.00

60.00

60.00

80.00 100.00 120.00 140.00 160.00

ppm Lead

Linear Regression Including Error

(D) Find the 95% CL error associated with the predictions of concentration of one measurement of signal 1200
(E) Find the 95% CL error associated with the predictions of concentration of five measurements of signal with average 1200

Finding the error in unknown concentrations

Example 1: Data Set 1

AVG
STDEV

RSD

Slope
Intercept
Known [Lead] ppm AES Signal
0.00
1.00
5.00
25.00
50.00
100.00
150.00
47.29
57.73
Unknown
AES signal
28.267
7.6%

40.96
42.31 Step 1: Find the Sy/x statistic -- use STEYX function

Sy/x
81.66
Step 2: Calculate the Sxx statistic
Sxx
19999.43
Step 3: Find the overall Sxo - term 3
Sxo, term 3
0.018087
Step 4: Calculate Sxo
Sxo all
2.15

0.00
40.00
200.00
1100.00
2213.43
4199.25
6100.00 95% CL
1978.95
2365.75
1200

7000.00
6000.00

AES Signal

5000.00
4000.00
3000.00
2000.00
1000.00
0.00
0.00

20.00

40.00

60.00

80.00

100.00 120.00 140.00 160.00

ppm Lead

5.25662141

Step 4: Calculate Sxo

95% CL
Note: I used a t-value of 2.571, DF=

ent of signal 1200

ents of signal with average 1200

wn concentrations

se STEYX function

ppm

ep 4: Calculate Sxo
Sxo all

1.20 ppm

1.377223
ote: I used a t-value of 2.571, DF=5

The Value of Internal Standards

(A) Find the r-squared for the linear regression of the data with and without the internal standard
(B) Using the internal standard data shown below, calculate the [Lead] when it has a signal of 1200 and the internal standard
(C) Find the 95% CL error associated with the predictions of concentration of five measurements of signal with average 1200

Example 3
No Internal Standard
With Internal Standard (70 ppm Ag)
Slope
40.95
Slope
Intercept
42.56
Intercept
Known [Lead] ppm AES Signal
IS (70 ppm)
0.00
1.00
2909.34
1.00
40.00
1200.00
5.00
200.00
2700.00
25.00
1100.00
2888.00
50.00
2213.43
3080.00
100.00
4199.25
2920.00
150.00
6100.00
2900.00
AVG
47.29
1979.10
STDEV
57.73
2365.62
Unknown
AES signal
Unknown
28.26
1200
27.98
Sxo, one replicate
2.17
1.22
CL 95%, DF =5
5.31
2.97
RSD
18.8%
10.6%
Sxo, five replicates
1.237
0.68
CL 95%, DF =5
1.42 t=2.571
0.78
RSD
5.0%
2.8%
Note: I used a t-value of 2.571, DF=5
AND NOTE: The reason this is divided by sqrt 5 is because there are FIVE replicate measurements (not because of DF)

al of 1200 and the internal standard has a signal of 2945

ements of signal with average 1200

nal Standard (70 ppm Ag)

0.0140
0.0149
AES Signal/I.S.
0.0003
0.0333
0.0741
0.3809
0.7186
1.4381
2.1034
0.68
0.81
AES Signal/I.S.
0.407

t=2.571

rements (not because of DF)

Step 1: Find the Sy/x statistic -- use STEXY function

Sy/x
0.02
Step 2: Calculate the Sxx statistic
Sxx
19999.43
Step 3: Find the overall Sxo - term 3
Sxo, term 3 0.018641
Step 4: Calculate Sxo
Sxo all
1.22 ppm
Step 4 - if there are 5 replicates
Sxo all

2945

0.68 ppm