[Header]
Format=SMU
ver=3
appl=GUMWB32
MR=0
FUEB=1

[Title]
Title='Measurement of Sorbic Acid Content of Mayonnaise'
Description=12
Description[0]='The method is based on the NMKL (Nordic Committee of Food Analyses) standard'
Description[1]='method No. 124(87)'
Description[2]=''
Description[3]='SCOPE: Measurement of Benzoic and Sorbic acid content. The measurement'
Description[4]='procedure has been validated for the following matrices: juice, margarine,'
Description[5]='ketchup and mayonnaise.'
Description[6]=''
Description[7]='PRINCIPLE: The preservatives are extracted using methanol and water. The'
Description[8]='samples are filtered and the resulting solution is injected into HPLC. Supelco'
Description[9]='C18 column is used. UV-Vis detector at 235 nm is used. The limit of'
Description[10]='quantification is 5 mg/kg.'
Description[11]=''

[Model]
Model=44
Model[0]='{ The main equation }'
Model[1]=''
Model[2]='C = (A_sample - b_0) / b_1 * L / R;'
Model[3]=''
Model[4]=''
Model[5]=''
Model[6]='{ Chromatographic measurements'
Model[7]='Peak areas are used as the basis for quantification.'
Model[8]='We assume that the uncertainty of chromatographic peak areas has 3 components (using the sample peak as example):'
Model[9]='         - Repeatability (contained in A_sample\us\rep);'
Model[10]='         - Uncertainty due to detector drift (A_sample\us\drift)'
Model[11]='         - Uncertainty due to imperfection of peak integration (A_sample\us\integr)'
Model[12]='The A_sample\us\rep carries the value and the repeatability uncertainty. The other components carry the respective uncertainty component only, their value is 0.'
Model[13]='}'
Model[14]=''
Model[15]='{ Sample peak area }'
Model[16]=''
Model[17]='A_sample = A_sample\us\rep+A_sample\us\drift+A_sample\us\integr;'
Model[18]=''
Model[19]='{ Recovery'
Model[20]='Recovery has been determined from spiking studies. f_inhomog takes into account the possible different behaviour of the spike relative to the native analyte.'
Model[21]='}'
Model[22]=''
Model[23]='R = R_0 * f_inhomog;'
Model[24]=''
Model[25]='{ Peak areas of the calibration standard solutions }'
Model[26]=''
Model[27]='A_1 = A_1rep + A_1drift + A_1integr;'
Model[28]='A_2 = A_2rep + A_2drift + A_2integr;'
Model[29]='A_3 = A_3rep + A_3drift + A_3integr;'
Model[30]='A_4 = A_4rep + A_4drift + A_4integr;'
Model[31]='A_5 = A_5rep + A_5drift + A_5integr;'
Model[32]=''
Model[33]=''
Model[34]=''
Model[35]=''
Model[36]='{ Linear regression equations }'
Model[37]=''
Model[38]='\Sigma\AC = C_1*A_1 + C_2*A_2 + C_3*A_3 +C_4*A_4 + C_5*A_5;'
Model[39]='AvgC=(C_1+C_2+C_3+C_4+C_5)/n;'
Model[40]='AvgA=(A_1+A_2+A_3+A_4+A_5)/n;'
Model[41]='\Sigma\CC=C_1*C_1+C_2*C_2+C_3*C_3+C_4*C_4+C_5*C_5;'
Model[42]='b_1=(\Sigma\AC-n*AvgC*AvgA)/(\Sigma\CC-n*AvgC*AvgC);'
Model[43]='b_0=AvgA-b_1*AvgC'
CE=1
CTC=1

[Components]
CompOrder=3
Comp=41
Comp[0]=C
Comp[1]=A_sample_
Comp[2]=b_0_
Comp[3]=b_1_
Comp[4]=L
Comp[5]=R
Comp[6]=A_sample\us\rep_
Comp[7]=A_sample\us\drift_
Comp[8]=A_sample\us\integr_
Comp[9]=R_0_
Comp[10]=f_inhomog_
Comp[11]=A_1_
Comp[12]=A_1rep_
Comp[13]=A_1drift_
Comp[14]=A_1integr_
Comp[15]=A_2_
Comp[16]=A_2rep_
Comp[17]=A_2drift_
Comp[18]=A_2integr_
Comp[19]=A_3_
Comp[20]=A_3rep_
Comp[21]=A_3drift_
Comp[22]=A_3integr_
Comp[23]=A_4_
Comp[24]=A_4rep_
Comp[25]=A_4drift_
Comp[26]=A_4integr_
Comp[27]=A_5_
Comp[28]=A_5rep_
Comp[29]=A_5drift_
Comp[30]=A_5integr_
Comp[31]=\Sigma\AC
Comp[32]=C_1_
Comp[33]=C_2_
Comp[34]=C_3_
Comp[35]=C_4_
Comp[36]=C_5_
Comp[37]=AvgC
Comp[38]=n
Comp[39]=AvgA
Comp[40]=\Sigma\CC

[COMP 0]
Type=Result
Definition='Sorbic acid content of the sample'
Unit='mg/kg'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=430.10752688172
Ustd=21.4136443807578
Neff=10000
HB=1
HC=0
HR=1
IO=0

[COMP 1]
Type=Temp
Definition='Peak area of the sample solution'
Unit='AU'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=200
Ustd=2.82842712474619
Neff=10000
HB=1
HC=0
HR=1
IO=0

[COMP 2]
Type=Temp
Definition='Intercept of the calibration line'
Unit='AU'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=0
Ustd=2.41576882744038
Neff=296
HB=0
HC=0
HR=0
IO=0

[COMP 3]
Type=Temp
Definition='Slope of the calibration line'
Unit='AU*l/mg'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=10
Ustd=0.125008521041195
Neff=170
HB=0
HC=0
HR=0
IO=0

[COMP 4]
Type=TypBRectang
Definition='Dilution factor'
Unit='l/kg'
Description=0
Vnom=20
Hlim=0,2

[COMP 5]
Type=Temp
Definition='Recovery'
Unit='unitless'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=0.93
Ustd=0.0435063596883643
Neff=10000
HB=0
HC=0
HR=0
IO=0

[COMP 6]
Type=TypBRectang
Definition='Sample solution peak area together with its repeatability uncertainty'
Unit='AU'
Description=2
Description[0]='The repeatability uncertainty of the sample peak area has been estimated as ca'
Description[1]='± 1% of the peak area'
Vnom=200
Hlim=2

[COMP 7]
Type=TypBRectang
Definition='Drift uncertainty component of the sample peak area'
Unit='AU'
Description=2
Description[0]='The uncertainty due to detector drift has been estimated as not more than 1% of'
Description[1]='the peak area'
Vnom=0
Hlim=2

[COMP 8]
Type=TypBRectang
Definition='Integration uncertainty component of the sample peak area'
Unit='AU'
Description=3
Description[0]='This uncertainty is estimated to be higher with sample than with calibration'
Description[1]='solutions: ca ± 6 area units (as a first approximation, not dependent on the'
Description[2]='area)'
Vnom=0
Hlim=4

[COMP 9]
Type=TypBRectang
Definition='The value of R and its uncertainty component that is due to the imperfection of the sample preparation procedure'
Unit='unitless'
Description=3
Description[0]='The uncertainty of R_0 is essentially the uncertainty of sample preparation. As'
Description[1]='such it also incorporates a large part of the overall reproducibility of the'
Description[2]='method.'
Vnom=0,93
Hlim=0,07

[COMP 10]
Type=TypBRectang
Definition='Inhomogeneity factor that takes into account that that as the result of the spiking 
procedure the analyte added does not have the same conditions in the sample as the analyte 
already present in the sample'
procedure the analyte added does not have the same conditions in the sample as the analyte 
already present in the sample'
procedure the analyte added does not have the same conditions in the sample as the analyte 
already present in the sample'
Unit='unitless'
Description=3
Description[0]='Uncertainty of the inhomogenity factor takes into account that as the result of'
Description[1]='the spiking procedure the analyte added does not have the same conditions in'
Description[2]='the sample as the analyte already present in the sample.'
Vnom=1
Hlim=0,03

[COMP 11]
Type=Temp
Definition='Peak area of the 1. calibration standard solution'
Unit='AU'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=50
Ustd=1.22474487139159
Neff=10000
HB=1
HC=0
HR=1
IO=0

[COMP 12]
Type=TypBRectang
Definition='alue and the repeatability uncertainty component of the peak area of the 1. calibration standard solution'
Unit='AU'
Description=2
Description[0]='The repeatability uncertainty of the sample peak area has been estimated as ca'
Vnom=50
Hlim=0,5
Description[1]='± 1% of the peak area'

[COMP 13]
Type=TypBRectang
Definition='Drift uncertainty component of the peak area of the 1. calibration standard solution'
Unit='AU'
Description=2
Description[0]='The uncertainty due to detector drift has been estimated as not more than 1% of'
Vnom=0
Hlim=,5
Description[1]='the peak area'

[COMP 14]
Type=TypBRectang
Definition='Integration uncertainty component of the peak area of the 1. calibration standard solution'
Unit='AU'
Description=3
Description[0]='This uncertainty is estimated to be higher with sample than with calibration'
Description[1]='solutions: ca ± 6 area units (as a first approximation, not dependent on the'
Vnom=0
Hlim=2
Description[2]='area)'

[COMP 15]
Type=Temp
Definition='Peak area of the 2. calibration standard solution'
Unit='AU'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=100
Ustd=1.4142135623731
Neff=10000
HB=1
HC=0
HR=1
IO=0

[COMP 16]
Type=TypBRectang
Definition='alue and the repeatability uncertainty component of the peak area of the 2. calibration standard solution'
Unit='AU'
Description=2
Description[0]='The repeatability uncertainty of the sample peak area has been estimated as ca'
Vnom=100
Hlim=1
Description[1]='± 1% of the peak area'

[COMP 17]
Type=TypBRectang
Definition='Drift uncertainty component of the peak area of the 2. calibration standard solution'
Unit='AU'
Description=2
Description[0]='The uncertainty due to detector drift has been estimated as not more than 1% of'
Vnom=0
Hlim=1
Description[1]='the peak area'

[COMP 18]
Type=TypBRectang
Definition='Integration uncertainty component of the peak area of the 2. calibration standard solution'
Unit='AU'
Description=3
Description[0]='This uncertainty is estimated to be higher with sample than with calibration'
Description[1]='solutions: ca ± 6 area units (as a first approximation, not dependent on the'
Vnom=0
Hlim=2
Description[2]='area)'

[COMP 19]
Type=Temp
Definition='Peak area of the 3. calibration standard solution'
Unit='AU'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=250
Ustd=2.34520787991171
Neff=10000
HB=1
HC=0
HR=1
IO=0

[COMP 20]
Type=TypBRectang
Definition='alue and the repeatability uncertainty component of the peak area of the 3. calibration standard solution'
Unit='AU'
Description=2
Description[0]='The repeatability uncertainty of the sample peak area has been estimated as ca'
Vnom=250
Hlim=2,5
Description[1]='± 1% of the peak area'

[COMP 21]
Type=TypBRectang
Definition='Drift uncertainty component of the peak area of the 3. calibration standard solution'
Unit='AU'
Description=2
Description[0]='The uncertainty due to detector drift has been estimated as not more than 1% of'
Vnom=0
Hlim=2,5
Description[1]='the peak area'

[COMP 22]
Type=TypBRectang
Definition='Integration uncertainty component of the peak area of the 3. calibration standard solution'
Unit='AU'
Description=3
Description[0]='This uncertainty is estimated to be higher with sample than with calibration'
Description[1]='solutions: ca ± 6 area units (as a first approximation, not dependent on the'
Vnom=0
Hlim=2
Description[2]='area)'

[COMP 23]
Type=Temp
Definition='Peak area of the 4. calibration standard solution'
Unit='AU'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=500
Ustd=4.24264068711929
Neff=10000
HB=1
HC=0
HR=1
IO=0

[COMP 24]
Type=TypBRectang
Definition='alue and the repeatability uncertainty component of the peak area of the 4. calibration standard solution'
Unit='AU'
Description=2
Description[0]='The repeatability uncertainty of the sample peak area has been estimated as ca'
Vnom=500
Hlim=5
Description[1]='± 1% of the peak area'

[COMP 25]
Type=TypBRectang
Definition='Drift uncertainty component of the peak area of the 4. calibration standard solution'
Unit='AU'
Description=2
Description[0]='The uncertainty due to detector drift has been estimated as not more than 1% of'
Vnom=0
Hlim=5
Description[1]='the peak area'

[COMP 26]
Type=TypBRectang
Definition='Integration uncertainty component of the peak area of the 4. calibration standard solution'
Unit='AU'
Description=3
Description[0]='This uncertainty is estimated to be higher with sample than with calibration'
Description[1]='solutions: ca ± 6 area units (as a first approximation, not dependent on the'
Vnom=0
Hlim=2
Description[2]='area)'

[COMP 27]
Type=Temp
Definition='Peak area of the 5. calibration standard solution'
Unit='AU'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=750
Ustd=6.23163969861331
Neff=10000
HB=1
HC=0
HR=1
IO=0

[COMP 28]
Type=TypBRectang
Definition='alue and the repeatability uncertainty component of the peak area of the 5. calibration standard solution'
Unit='AU'
Description=2
Description[0]='The repeatability uncertainty of the sample peak area has been estimated as ca'
Vnom=750
Hlim=7,5
Description[1]='± 1% of the peak area'

[COMP 29]
Type=TypBRectang
Definition='Drift uncertainty component of the peak area of the 5. calibration standard solution'
Unit='AU'
Description=2
Description[0]='The uncertainty due to detector drift has been estimated as not more than 1% of'
Vnom=0
Hlim=7,5
Description[1]='the peak area'

[COMP 30]
Type=TypBRectang
Definition='Integration uncertainty component of the peak area of the 5. calibration standard solution'
Unit='AU'
Description=3
Description[0]='This uncertainty is estimated to be higher with sample than with calibration'
Description[1]='solutions: ca ± 6 area units (as a first approximation, not dependent on the'
Vnom=0
Hlim=2
Description[2]='area)'

[COMP 31]
Type=Temp
Definition='Interim quantity for regression statistics analysis'
Unit='AU*mg/l'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=88750
Ustd=806.245155024202
Neff=203
HB=0
HC=0
HR=0
IO=0

[COMP 32]
Type=TypBNormal
Definition='Concentration of the 1. calibration standard solution'
Unit='mg/l'
Description=0
Vnom=5
Uexp=0,05
Fcov=1

[COMP 33]
Type=TypBNormal
Definition='Concentration of the 2. calibration standard solution'
Unit='mg/l'
Description=0
Vnom=10
Uexp=0,1
Fcov=1

[COMP 34]
Type=TypBNormal
Definition='Concentration of the 3. calibration standard solution'
Unit='mg/l'
Description=0
Vnom=25
Uexp=0,25
Fcov=1

[COMP 35]
Type=TypBNormal
Definition='Concentration of the 4. calibration standard solution'
Unit='mg/l'
Description=0
Vnom=50
Uexp=0,5
Fcov=1

[COMP 36]
Type=TypBNormal
Definition='Concentration of the 5. calibration standard solution'
Unit='mg/l'
Description=0
Vnom=75
Uexp=0,75
Fcov=1

[COMP 37]
Type=Temp
Definition='Interim quantity for regression statistics calculation'
Unit='mg/l'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=33
Ustd=0.188414436814168
Neff=102
HB=0
HC=0
HR=0
IO=0

[COMP 38]
Type=Const
Definition='Number of points on the calibration line'
Unit='unitless'
Description=0
Vnom=5

[COMP 39]
Type=Temp
Definition='Interim quantity for regression statistics calculation'
Unit='AU'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=330
Ustd=1.62275485928508
Neff=10000
HB=0
HC=0
HR=0
IO=0

[COMP 40]
Type=Temp
Definition='Interim quantity for regression statistics calculation'
Unit='mg²/l²'
Description=0
Fcov=2
NomUnit=
UncUnit=
CovID=0
UncID=0
Vnom=8875
Ustd=123.760858109501
Neff=70
HB=0
HC=0
HR=0
IO=0

[Correlations]
Description=0