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Tofware HARALD STARK MIKE CUBISON

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Page 1: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

TofwareHARALD STARK

MIKE CUBISON

Page 2: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Overview Analysis software for multiple Aerodyne/Tofwerk instruments

CIMS (FIGAERO support)

IMS

PTR-MS

GC-TOF

Not AMS (except event trigger)

Functionality

Data preaveraging

Data indexing (=pointing towards any sized dataset)

m/z calibration

Instrument function definition

Unit-mass-resolution (UMR) processing and display

High-resolution (HR) analysis

Peak identification

Multi-peak fitting

Display (time-series, spectra, chemical information)

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Page 3: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Tofware facts and faces Anyone with an Aerodyne (Tofwerk) instrument can use it

Distributed via google site (what can we use in China?)

Free initial training for all new users (5+ hours)

Training videos (planned)

User manual

Continuous free user support

Frequent (~6 months) updates

Current version: 2.5.10

Newest versions require igor 7

Windows and Mac

Developers/support: Mike Cubison (Tofwerk), Harald Stark (Aerodyne)

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Page 4: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

General workflow 4

Page 5: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Demo: preaveraging data

Tofware v2.5.10 Future feature in Tofware v2.6.0

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Page 6: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Demo: adding data to Tofware 6

Page 7: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Demo: displaying instrument parameters 7

Page 8: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Demo:

“mass”

(m/z)

calibration

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Page 9: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Demo: peak shape and peak width (not showing baselines) 9

Page 10: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Demo: UMR data processing and display 10

Page 11: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Demo: UMR analysis and export to PMF/SoFi 11

Page 12: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Demo: Raw spectra and HR peak assignment 12

Page 13: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Demo: HR multi-peak fitting, batch processing

and time series13

Page 14: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Demo: advanced analysis: chemical properties 14

Page 15: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Demo: further analysis: HR PMF export 15

Page 16: Tofware - welcome | CIREScires1.colorado.edu/jimenez-group/UsrMtgs/UsersMtg18/...Peak identification Multi-peak fitting Display (time-series, spectra, chemical information) 2 Tofware

Summary

Many more features available, see manual, ask Harald

Continued development, new features can be requested

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