SPECIATE v3.2 Release Notes November 1, 2002 SPECIATE is EPA's respository of Total Organic Compound (TOC) and Particulate Matter (PM) speciated profiles for a wide variety of sources. The profiles in this system are provided as a library of available profiles for source-receptor and source apportionment type models, such as CMB8. SPECIATE v3.2 was posted to the CHIEF web site (http://www.epa.gov/ttn/chief/software/index.html) in November 2002, replacing v3.1 which had been posted in July 2000. Version 3.2 incorporates improvements to the function, clarifications to the display, and some minor corrections to the data. No new profiles have been added to SPECIATE in v3.2 Concurrent with these minor revisions to the software, EPA undertook a data collection effort to locate additional profile data for potential inclusion in a future SPECIATE release. A total of 178 journal articles were collected and reviewed to ascertain their relevance to SPECIATE. Most of these articles were published between 1990 and 2002 in peer-reviewed journals. A reference list of these 178 articles has also been posted for review. The reference list is organized into three sections: 1. Applicable Articles for SPECIATE (94 articles); 2. Articles Already Included in SPECIATE (9 articles); and, 3. Other Articles Researched but Found to be Inapplicable/Duplicate to SPECIATE (75 articles). The reference list is accompanied by a one-page review/summary of each article explaining the type of profile data contained in the reference and any specific information of interest. The reference list and summaries are considered to be a work in progress. The format of the reference list allows for easy updates that will enable it to remain a current document. FUNCTION AND DISPLAY IMPROVEMENTS: The PM interface "Profile" tab has been clarified to show that the species are displayed as percentages (not mass fractions), although exports of the data to CMB file format are in mass fraction as required by CMB. Because PM profiles have not been normalized in SPECIATE, the sum of profile specie percentages for each PM size fraction do not sum to 100%. The actual identified percentage of total mass for each of the four size fractions is now shown more clearly at the top of the "Profile" tab. The SPECIATE keyword search has been improved to assist SPECIATE users in identifying profiles and groups of profiles. Nondescriptive keywords that existed in the previous version of SPECIATE have been deleted and the current list has been reworked to improve the consistency and efficiency of the keywords used. Groups of profiles with common source types can be selected by running a query for profiles assigned to particular keywords. Specifically, an effort was made to assign all related profiles to the following keywords: diesel combustion, gasoline combustion, paved road, unpaved road, soil dust, wood burning, and industrial. The CMB export feature has been changed to allow for export of profiles in delimited ASCII Text, Comma Separated Value (CSV), or DBF formats, which can be imported into CMB8. The "Print" function has been improved to allow printing of detailed profile information as well as the species found. The "HELP" file has been revised to include additional explanations on normalization, uncertainty, keywords, and user addition of profiles to SPECIATE. DATA CORRECTIONS: The "Average" profiles (profile numbers beginning with "9") in the TOC module were removed. The CAS numbers associated with chemical species in SPECIATE were reviewed, and several corrections were made. The "Profile" tab sort order by specie was improved to sort on the first letter of the chemical name, and not the first letter of qualifiers such as "Isomers." Typos in the notes field were corrected. ************************************************ SPECIATE v3.1 Release Notes July 2000 This release of SPECIATE no longer contains profiles assigned to SCC's. Instead, searching for profiles by keyword has been improved and of course the user can still browse through the profiles. Some additional improvements have been made to the interface, and some minor bugs associated with the export feature have been fixed. No new profiles have been added to SPECIATE since the previous release in October, 1999. ************************************************ SPECIATE v3.0 Release Notes October 1999 This release of SPECIATE contains new profiles and a new graphical user interface. SPECIATE v3.0 contains keywords assigned to every profile to facilitate filtering of the data, an updated SCC assignment database including new profiles, and a new Chemical Mass Balance Version 8 export feature. DATA ENHANCEMENTS: SPECIATE v3.0 contains 262 new TOC profiles and 13 new PM profiles. The assigment of profiles to SCCs has been updated to include these new profiles. Currently, every SCC has at least one profile assignment. Some SCCs have more than one profile assigned to it. Since almost all pollutants can be referred to by several synonyms, additional synonyms for many pollutants were added to SPECIATE to increase the success of profile searches based on a particular species. Keywords have been defined for every profile. This feature allows users to view a group of profiles from similar sources. INTERFACE ENHANCEMENTS: SPECIATE v3.0 is a 32-bit program that can run under Windows 95/98 or Windows NT. As a Windows compatible system, this version of SPECIATE introduces the following graphical user interface features: - pull-down menu - toolbar - tabbed pages - scrollable grids - status bar - windows-style help - VCR-style navigation buttons Profiles can now be browsed in a scrollable grid. Users may sort the profiles by title, keyword, specie, SCC, or profile number. Users can jump to a particular profile of interest by using the Go To... button which prompts the user for input based on the current sort order. Species contained in the profile can be sorted by specie name, CAS number, or in descending order by percent. Users can view all of the keywords assigned to a profile, as well as all the SCCs to which the profile has been assigned. A new QUERY feature allows users to filter the database to view a group of profiles that have a common SCC, specie, or keyword. The QUERY feature also allows users to filter the data on species contained in a profile in excess of a particular limit set by the user. The results of the QUERY can be fine-tuned by the user by selecting any additional or by deselecting any included profiles simply by double clicking on the BROWSE grid. Once the desired QUERY result is set, the selected records can be saved to export files for use in other programs. There are four different types of output formats: database, ASCII Text, CMB8 Database, and CMB8 Comma Separated Value (CSV). See the SPECIATE HELP file for more details on the CMB8 export format. ************************************************ SPECIATE v2.0 WAS NOT RELEASED ************************************************ SPECIATE v1.5 Release Notes There were several modifications and enhancements made in version 1.5 of the Speciation Data System. The VOC/PM emission factors have been updated with the most current factors from AFSEF. SAROAD numbers have been dropped for VOC species and replaced by CAS numbers and unique species numbers similar to PM. The program also checks for sufficient computer memory (512K) before running to avoid malfunction. - Replaced obsolete SAROAD codes with CAS and Species Number for data retrieval. - Several new VOC Automobile Mobile Source profiles (1301-1315). - Replaced unknown emission factors with -1 instead of 9999999. to avoid confusion. Ignore any negative emission factors (SCC or speciated). - Added detection of free working memory (RAM) to avoid program malfunctions from running without sufficient computer memory. - 1/25/93 Archive flag on VOC profile 1089 reset to False - 2/8/93 Updated with VOC/PM Emission factors from AFSEF - 8/9/93 Obsolete Mobile source profiles 1101, 1203, 1204 archived. SCC assignments applied to profiles 1306 and 1313. ************************************************ SPECIATE v1.4 Release Notes - New pollutant name synonym table added to find synonyms and return standardized SDS pollutant 'base names' for retrieving profiles by pollutant name. Use of this feature is optional. If synonym search capability is desired, copy the file SYNOMYM.EXE from the distribution diskette into the SDS operating directory and type 'SYNONYM' to build the synonym table. - Several new VOC profiles. ************************************************ SPECIATE v1.32a Release Notes - There has been some misunderstanding about some of the unreasonably high emission factors in the database. An unknown SCC emission factor was originally defined with a value of 99999999. This has not been changed and the program does not take this into account when calculating speciated emission factors. Thus, an emission factor for zinc of 49,999.995 lbs/gallon of coating may result from a calculation. It is assumed that the user will recognize such a value as beyond reasonable bounds and conclude that the SCC emission factor is actually unknown. Future revisions of the software will take the unknown emission factors into account and these meaningless numbers will not be generated.