This following example illustrates how the ingredients of a tobacco product would be represented and quantified using 3 datasets:

  • Tobacco Ingredients (IT) is used for representing the tobacco ingredients and their attributes within the tobacco product under study.
  • Non-tobacco Ingredients (IN) is used for representing other ingredients/additives and their attributes as used in the tobacco product under study.
  • Ingredient Quantities by Component (IQ) is used for representing the quantity and function of each ingredient (both tobacco and non-tobacco) by component of the tobacco product in which they are included. These values represent the design/formulation specification of the product, not experimentally determined values (as the latter would be represented in the Product Testing (PT) dataset, not shown here).

All 3 datasets use the SPTOBID variable to identify the tobacco product under study, and the IGDCMPID (ingredient or component identifier) variable to represent the ingredient name. IGDCMPID must be assigned by applicants to be unique with regard to the attributes that describe it. For instance, if the same ingredient varies on 1 or more attribute (e.g., 2 different manufacturers supplied the same ingredient that is used in 2 different components of the product), IGDCMPID must be unique for each use to reflect this difference, even if they share the same common name, and/or the same IUPAC name and CAS registry number. See IT dataset example, which illustrates this, below.

Example

The IT example shows tobacco filler and the types of tobacco of which it is composed, each listed as tobacco ingredients in the variable IGDCMPID (ingredient or component identifier) for the tobacco product CIG01A (SPTOBID). The variable ITSPECIF shows the specification/variety of the first 3 tobaccos. ITIGDPLX (Ingredient Complexity) is used to indicate that the tobacco filler and the reconstituted tobacco are complex ingredients (i.e., have 2 or more subcomponents). The details of which single tobacco ingredients compose these complex ingredients is made explicit in the IQ dataset example. ITCURMTH indicates the cure method. ITCIGIND (applicant-customized ingredient indicator) is used to indicate whether complex ingredients were made to the applicant's specification. TPMF indicates the Tobacco Product Master File name/number, which should be provided in the data if the component manufacturer has made it available.
Note that there are 2 varieties of burley tobacco in this tobacco product; each is given a unique IGDCMPID value (Burley Tobacco and Burley Tobacco 2).

it.xpt

it.xpt

Row

DOMAIN

STUDYIDSPTOBIDIGDCMPIDTPMFITSPECIFITIGDPLXITCURMTHITCIGIND
1ITTOB07CIG01ATobacco Filler

COMPLEX INGREDIENT

2ITTOB07CIG01ABurley TobaccoMF5555555NC 7LCSINGLE INGREDIENTAir
3ITTOB07CIG01ABright Tobacco
CC 1063SINGLE INGREDIENTFlue
4ITTOB07CIG01AOriental Tobacco
USDA Nicotiana Collection PI 552747SINGLE INGREDIENTSun
5ITTOB07CIG01AReconstituted Tobacco

COMPLEX INGREDIENT
N
6ITTOB07CIG01ABurley Tobacco 2
KT215LCSINGLE INGREDIENTAir
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The IN dataset example shows the list of non-tobacco ingredients used in the tobacco product identified as CIG01A. Each unique ingredient is listed in IGDCMPID. Where applicable, IUPAC name and CAS number are listed (IUPACNAM and CASNO variables, respectively). INIGDPLX is used to indicate whether an ingredient is a single ingredient or a complex ingredient. INCIGIND  indicates whether complex ingredients were made to the applicant's specification. Grade, purity, manufacturer name, ingredient unique item number, and the Tobacco Product Master File number complete the dataset.

in.xpt

in.xpt

RowDOMAINSTUDYIDSPTOBIDIGDCMPIDINMANUFINMANUINTPMFIUPACNAMCASNOUNIIINIGDPLXINCIGINDINGRADEINPURTY
1INTOB07CIG01ACocoa ExtractFlavor House AFLVR1234MF5555555


COMPLEX INGREDIENTNFOOD
2INTOB07CIG01AButyric Acid


butanoic acid107-92-6
SINGLE INGREDIENT
USP≥99%
3INTOB07CIG01ACellulose Filter AMFR AFIL789

-
COMPLEX INGREDIENTNUSP
4INTOB07CIG01ACellulose Acetate


cellulose acetate9004-35-7
SINGLE INGREDIENT

99%
5INTOB07CIG01ATriacetin


1,3-diacetyloxypropan-2-yl acetate102-76-1
SINGLE INGREDIENT
USP
6INTOB07CIG01AFSC Paper BMFR BFSC123MF5678910


COMPLEX INGREDIENTN

7INTOB07CIG01ACellulose Pulp


cellulose pulp65996-61-4
SINGLE INGREDIENT

≥99%
8INTOB07CIG01ACalcium Carbonate


calcium carbonate471-34-1
SINGLE INGREDIENT
USP
9INTOB07CIG01ASodium Alginate


sodium;3,4,5,6-tetrahydroxyoxane-2-carboxylate9005-38-3
SINGLE INGREDIENT
FOOD
10INTOB07CIG01ATrisodium Citrate


trisodium;2-hydroxypropane-1,2,3-tricarboxylate6132-04-3
SINGLE INGREDIENT

≥98%
11INTOB07CIG01ACationic Starch


starch, 2-hydroxy-3-(trimethylammonio)propyl ether, chloride56780-58-6
SINGLE INGREDIENT
FOOD
12INTOB07CIG01ASeam AdhesiveMFR CADV123MF2345678


COMPLEX INGREDIENTN

13INTOB07CIG01AMethylcellulose



9004-67-5
SINGLE INGREDIENT
FOOD
14INTOB07CIG01A1,3-Butanediol


Butane-1,3-diol34844-08-1
SINGLE INGREDIENT
USP≥99%
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Finally, the IQ domain is used to represent the quantity (target, minimum, and maximum) of each ingredient identified in IGDCMPID that the product (SPTOBID) is designed to contain, with the units for these values represented in IQUNIT. The function of each ingredient is described in IQFUNCT. Note: Ingredients that appear in more than 1 component of the tobacco product are quantified separately for each component. IQPARENT identifies a component or complex ingredient composed of the subcomponents/ingredients shown in IDGCMPID. IQLEVEL is used to identify at what level in the overall hierarchy that subcomponent/ingredient appears.

The following implementation rules apply, as described in more detail in Section 2.8.8.6, SDTM Ingredient Quantities by Component (IQ), Assumptions:

  • IQPARENT must correspond to a value of IGDCMPID in the same dataset. If parent is null, the ingredient is considered a top-level component and is assigned an IQLEVEL value of "1".
  • Records describing subcomponents/ingredients that compose a parent component listed in the dataset will have IQPARENT value equal to the IGDCMPID of that parent component. IQLEVEL will be set to n +1, where n = the parent record's value of IQLEVEL
  • Every value of IGDCMPID used in the IQ dataset must have a matching value of IGDCMPID:
    • In the IT dataset (when IQCAT=TOBACCO INGREDIENT), or
    • In the IN dataset (when IQCAT=NON-TOBACCO INGREDIENT)

Therefore, IQCAT is required to relate ingredient quantity records in IQ to the associated ingredient attributes described in either IT or IN.

The use of IQPARENT and IQLEVEL help make explicit the relationship between complex ingredients or components and the subcomponents/ingredients of which they are composed, and can assist when totaling the quantities of an ingredient that appears in multiple components of a tobacco product.
 
This concept map illustrates the representation of the hierarchical relationships between a component and its subcomponents/ingredients in the IQ domain structure. 

Concept Map. Relationships of Components, Subcomponents and Ingredients in IQ


Alhough a tobacco product may consist of multiple components, this concept map illustrates the representation of the hierarchical relationships between a single component and and its subcomponents/ingredients in the IQ domain structure using IDGCMPID, IQPARENT, and IQLEVEL. The hypothetical parent component has 2 subcomponents/ingredients, A and B. Additionally, component B, a complex ingredient, consists of two ingredients, B1 and B2. A total of 5 components, subcomponents, and ingredients (purple boxes) would be represented in the IQ domain.

The IQ dataset example illustrates these principles, using a cigarette tobacco product:

Rows 1, 13, 16:Show 3 top-level components of a cigarette product: tobacco filler, filter, and cigarette paper, respectively. Their target, minimum, and maximum quantities expressed in units of mg/cigarette are shown in IQVALTRG, IQVALMIN, IQVALMAX and IQUNIT. Because there is no parent component other than the finished product itself, IQPARENT is null, and IQLEVEL=1, indicating that these are top-level ingredients/components of the finished product.
Rows 2-5:Show the quantities of 4 types of tobacco used in the product. IQPARENT=Tobacco Filler and IQLEVEL=2, together indicating that these are subcomponents/ingredients in the tobacco filler, a top level-component of the cigarette product.
Rows 6-8:Show the 3 tobacco ingredients that compose reconstituted tobacco in row 5 (IQPARENT=Reconstituted Tobacco). The quantities of these tobaccos pertain to the quantity at which they appear in the reconstituted tobacco ONLY. IQLEVEL=3 to show that these ingredients are at the third level of the hierarchy (subcomponents/ingredients in Reconstituted Tobacco, which has IQLEVEL=2). Therefore, the total quantity of the individual tobaccos used in this tobacco product is the sum of these 3 rows plus the sum of the quantities shown in rows 2-4.
Rows 9-10:Show the quantities of 2 non-tobacco ingredients, methylcellulose and 1,3-butanediol, which are further subcomponents/ingredients in Reconstituted Tobacco, as indicated by IQPARENT. IQFUNCT shows that methylcellulose functions as a binder and 1,3-butanediol functions as a humectant. IQLEVEL=3 to show that these ingredients are at the third level of the hierarchy.
Rows 11-12:Show the quantities of 2 subcomponents/ingredients that both function as a flavorant in the tobacco filler (as indicated by IQFUNCT= Flavor and IQPARENT=Tobacco Filler).
Rows 14-15:Show the quantities of 2 subcomponents/ingredients that function as filtration and plasticizer, respectively, in the filter portion of the cigarette (cellulose filter A, a top-level component shown in row 13).
Rows 17-22:Show the quantities and functions of 6 subcomponents/ingredients in the top-level component FSC paper B (the cigarette paper shown in row 16).

iq.xpt

iq.xpt

RowDOMAINSTUDYIDSPTOBIDIGDCMPIDIQCATIQPARENTIQLEVELIQFUNCTIQVALTRGIQVALMINIQVALMAXIQUNIT
1IQTOB07CIG01ATobacco FillerTOBACCO INGREDIENT
1
672.5661.3683.7mg/cigarette
2IQTOB07CIG01ABurley TobaccoTOBACCO INGREDIENTTobacco Filler2
191721mg/cigarette
3IQTOB07CIG01ABright TobaccoTOBACCO INGREDIENTTobacco Filler2
300295305mg/cigarette
4IQTOB07CIG01AOriental TobaccoTOBACCO INGREDIENTTobacco Filler2
115113117mg/cigarette
5IQTOB07CIG01AReconstituted TobaccoTOBACCO INGREDIENTTobacco Filler2
231229233mg/cigarette
6IQTOB07CIG01ABurley Tobacco 2TOBACCO INGREDIENTReconstituted Tobacco3
191820mg/cigarette
7IQTOB07CIG01ABright TobaccoTOBACCO INGREDIENTReconstituted Tobacco3
103101105mg/cigarette
8IQTOB07CIG01AOriental TobaccoTOBACCO INGREDIENTReconstituted Tobacco3
656367mg/cigarette
9IQTOB07CIG01AMethylcelluloseNON-TOBACCO INGREDIENTReconstituted Tobacco3Binder201921mg/cigarette
10IQTOB07CIG01A1,3-ButanediolNON-TOBACCO INGREDIENTReconstituted Tobacco3Humectant242325mg/cigarette
11IQTOB07CIG01ACocoa ExtractNON-TOBACCO INGREDIENTTobacco Filler2Flavor76.757.25mg/cigarette
12IQTOB07CIG01AButyric AcidNON-TOBACCO INGREDIENTTobacco Filler2Flavor0.50.550.45mg/cigarette
13IQTOB07CIG01ACellulose Filter ANON-TOBACCO INGREDIENT
1Filter164163165mg/cigarette
14IQTOB07CIG01ACellulose AcetateNON-TOBACCO INGREDIENTCellulose Filter A2Filtration155154156mg/cigarette
15IQTOB07CIG01ATriacetinNON-TOBACCO INGREDIENTCellulose Filter A2Plasticizer9810mg/cigarette
16IQTOB07CIG01AFSC Paper BNON-TOBACCO INGREDIENT
1Cigarette Paper (Wrapper)504951mg/cigarette
17IQTOB07CIG01ACellulose PulpNON-TOBACCO INGREDIENTFSC Paper B2Fiber302931mg/cigarette
18IQTOB07CIG01ACalcium CarbonateNON-TOBACCO INGREDIENTFSC Paper B2Filler151416mg/cigarette
19IQTOB07CIG01ASodium AlginateNON-TOBACCO INGREDIENTFSC Paper B2Reduced ignition propensity21.752.25mg/cigarette
20IQTOB07CIG01ATrisodium CitrateNON-TOBACCO INGREDIENTFSC Paper B2Combustion Modifier0.50.450.55mg/cigarette
21IQTOB07CIG01ACationic StarchNON-TOBACCO INGREDIENTFSC Paper B2Binder0.50.450.55mg/cigarette
22IQTOB07CIG01ASeam AdhesiveNON-TOBACCO INGREDIENTFSC Paper B2Adhesive21.752.25mg/cigarette
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