Method of data evaluation
17
The following example Illustrates this comparison process (the two samples to
be compared consist of three peaks each (peak 1-3)):
Step 1 (raw data and ratios) Step 2 (features) Step 3 (conclusion matrix)
peak
raw [pA]
norm**
1
193.9
0.242
RSD
CD
RSD
CD
2
257.6
0.322
1 on 1
5.1%
10.2%
33%
100%
3
329.6
0.412
2 on 2
4.8%
9.6%
1
214.7
0.268
3 on 3
5.2%
10.3%
2
283.6
0.355
3
365.5
0.457
Criterion
< 5%
< 14%
> 50%
Normalized on virtual maximum of 800 [pA]
Step 1: The extracted heights are normalized on a hypothetical maximum of
800 pA. In order to narrow the number of features, a pre-sorting was con
ducted: Every peak smaller than 10% of the maximum was not considered In
following computations. In our example above, all normalized peaks a larger
than 0.1, so they were all used to calculate features.
Step 2: Creation of the two features of RSD and CD. A green background Indi
cates that the result of this feature Is below criterion limits, and therefore statis
tically similar. If these features exceed their criterion, the background Is
coloured In red. This means that the compared peaks of the samples are statis
tically dissimilar.
Step 3: The amount of features showing matches are compared to the number
of total features and displayed as ratios.
The first step of extracting peak Intensities and normalisation to the maximum
should not need further explanation.
Based on the normalised (“norm”) peak values of step 1, for every peak com
parison the RSD- and CD-features are created. Looking at the RSD column
(step 2) we see that only the RSD of the second peak’s comparison Is below
5 % (green background). Since this Is only one feature out of three, this results
In a matching-ratio of 33% (step 3). In contrast, for CD, step 2 shows that all
three peak comparisons are below the threshold value of 14%, which leads to
a 100% matching-ratio In step 3 for CD 1 .
1 Note: the nature and usability of both of these features (RSD and CD) and how to
proceed and handle data in case of contradicting results, Is not part of this investiga
tion. Anyway, in the following, both values are presented.