Exercise 1.

Establishing a calibration model between sensory

properties and consumer preference of a raspberry jam.

Problem: we want to assess jam quality and we would like to
know which sensory properties consumers prefer to find
when choosing a jam. To do that we will relate the sensory
variables of a set of jam samples with the consumer
preference through a calibration model.

Filename: JAM.

1. Data set. The data set contains a training set of ! jam
samples. The samples have been picked up at four different
places "#$#%& and harvested at three different times "'$'(&.
Sample name Place Harvesting time
#)'
#!)' !
#()' (
#%)' %
#)'! !
#!)'! ! !
#()'! ( !
#%)'! % !
#)'( (
#!)'( ! (
#()'( ( (
#()'% % (

*e have three different data sets related to these samples+
the ,sensory-. which contains sensory variables provided by
e/perts0 the ,instrumental-. which contains instrumental
measurements about the jam samples and the ,1reference-.
which ranks the preference of the consumers. 2ensory
variables and preference have been estimated on a scale
going from 3 to 3.

The description of the instrumental variables is as follows+

Nr. Name Description
4
2pectrophotometric colour
measurement
! a
2pectrophotometric colour
measurement
( b
2pectrophotometric colour
measurement
% Absorb Absorbance
5 2oluble 2oluble solids "6&
7 Acidity Titrable acidity "6&

And the description for the sensory variables is below+

Nr. Name Description
8ed 8edness
! #olor #olor intensity
( 2hiny 2hininess
% 2mell 8aspberry smell
5 9lavor 8aspberry flavour
7 2weet 2weetness
: 2our 2ourness
; <itter <itterness
= >ff$flav >ff$flavour
3 Juicy Juiciness
?iscos ?iscosity @ Thickness
! #hewing #hewing resistance

Instrumental Sensory Pref
! mostres
conegudes de
melmelada
7 variables
instrumentals ! variables sensorials
variable
preferAncia

Steps
1. Do te P!" calibration mo#el ta$ing % &sensory' an# (
preference'.
a. )as$ * "egression * P!"
2ample set+ Training.
B$variables+ 2ensory. +eigts: All @2dev. ,ali#ation
meto#: #ross ?alidation. 2etup+ 9ull #ross ?alidation.
!enter #ata "selected&.
C$variables+ 1reference. +eigts: All @2dev. ,ali#ation
meto#: #ross ?alidation. 2etup+ 9ull #ross ?alidation.
!enter #ata "selected&.
-oo$ at te si.e of te mo#el. Plot of ( resi#ual vali#ation
variance /bottom left0. The minimum indicates the siDe of
the model "(&.
Plot ypre# vs. ymeas 1it te correct si.e of te mo#el.
Plot2Pre#icte# vs. 3easure#2Suggeste# number of
components "(&. Eo we have a good predictive abilityF
-oo$ at te variance explaine# in % an# (. *hy does the
first 1# e/plain so little variance of CF
-oo$ at te score plot. #an you see patterns in the samples
according to the place where the raspberries were picked
upF And according to the harvesting timeF
-oo$ at te loa#ings plot. *hich variables of % "sensory&
are correlated among themF Eirectly. inverselyF Got
correlated at allF *hich variables of % correlate best to (F
*hich sensory properties prefer the consumers in a jamF

4. Do te P-S calibration mo#el ta$ing % &sensory' an# (
preference'.
b. )as$ * "egression * P-S1
2ample set+ Training.
B$variables+ 2ensory. +eigts: All @2dev. ,ali#ation
meto#: #ross ?alidation. 2etup+ 9ull #ross ?alidation.
!enter #ata "selected&.
C$variables+ 1reference. +eigts: All @2dev. ,ali#ation
meto#: #ross ?alidation. 2etup+ 9ull #ross ?alidation.
!enter #ata "selected&.
-oo$ at te si.e of te mo#el. Plot of ( resi#ual vali#ation
variance /bottom left0. The minimum indicates the siDe of
the model "!&.
Plot ypre# vs. ymeas 1it te correct si.e of te mo#el.
Plot2Pre#icte# vs. 3easure#2Suggeste# number of
components "!&. Eo we have a good predictive abilityF
-oo$ at te variance explaine# in % an# (. *hy does the
first 1# e/plain already a lot of ( varianceF
-oo$ at te score plot. #an you see patterns in the samples
according to the place where the raspberries were picked
upF And according to the harvesting timeF
-oo$ at te 1eigts plot. *hich variables of % "sensory& are
correlated among themF Eirectly. inverselyF Got correlated
at allF *hich variables of % correlate best to (F *hich
sensory properties prefer the consumers in a jamF

5. !ompare P!" an# P-S mo#els.
a. Eo they have the same siDeF *hyF
b. *hich has the best predictive abilityF