Info file

Idea: Info file (similar to the “Liesmich” [German for “readme”] files in use in Freiburg for other types of experiments) containing important additional information to a measurement.

Aim: Import in the TA toolbox. The informations get added to the current dataset.

Longterm goal: Import into a laboratory information system.

<note important>Currently (2012-10-22) the following specification of a file format is still very much in development. Therefore, all informations can change at any time without prior notice.
Note: The German version of this document might be more recent.</note>

• 2012-10-22: v0.2e
  • New Field “Experiment” in block “GENERAL”
  • New Field “Purpose” in block “GENERAL”
  • New Field “Buffer” in block “SAMPLE”
• 2012-03-31: v0.2d
  • New Field “Shot repetition rate” in block “GENERAL”
  • Field contents can span over multiple lines¹⁾
• 2012-01-23: v0.2c
  • Field “Aperture” in block “SPECTROGRAPH” divided into “Aperture front” and “Aperture back”
• 2012-01-21: v0.2b
  • New field “Aperture” in block “SPECTROGRAPH”
• 2012-01-18: v0.2a
  • New field “Software” in block “GENERAL”
  • New field “Runs” in block “TIME PROFILES”

• Machine readable and human readable
• Pure text (ASCII)
• Uniquely identifiably
  • Identifier string in the first or second line of the file

For those who like to see something, rather than reading (dull and) lengthly description: an example can be found further below.

Following a general description of the file format.

• Format
  • The file format is ASCII (7-bit)
  • Restriction to 7 bit ASCII character table guarantees interoperability between different operating systems.
  • Therefore: No umlauts or other special characters.
• File name and extension
  • The file extension is “.info”.
  • The filename is identical with the file basename of the corresponding data file.²⁾
• The first line of the file consists of an identifier string.
  • Makes it possible to uniquely identify the file format during parsing.
  • Separated by an empty line from the remaining file.
  • Should contain a version number (of the format).
• Field names
  • Field names may contain spaces, but no special characters and no colons³⁾.
  • Field names must start with a character (no numerical!).
  • Every field name ends with a colon.
  • Field names shall not contain/repeat the block name.⁴⁾
• Values
  • Values always follow a field name
  • Within a block, all values get intended that way that they are left-aligned. Therefore, the longest field name defines the indentation.
  • Values may contain special characters⁵⁾ and colons.
  • NEW Values may span several lines. In this case, each new line needs to start with a whitespace character (such as space or tab).
• Use of colons
  • Colons are used to separate field names and values
  • At all other places (e.g., after a block heading) no colon is allowed. Only exception are values.
  • Colons are used internally during parsing to separate field names and values (in Matlab: regexp with option split).
• The info file is divided into several blocks.
  • Blocks are introduced by block names in capital letters.
• All field names and descriptions within the file should be in English to guarantee international usability.
• Blocks and fields may be optional, as long as there are certain fields (acting as “switches”) that can be used while parsing to determine whether these blocks/fields exist in the file.
  • Is no value available for a field, but removing the field seems not reasonable⁶⁾, the value is “N/A”.
• About the blocks:
  • Each block starts with a heading (block name) in capital letters.
  • Each block gets separated from the previous part of the file by an empty line.
  • Blocks contain key-value pairs consisting of a field name, followed by its respective value.

In the following, each block of the info file is described. An example of such an info file will follow below.

Besides the identifier string, currently there are the following blocks:

• GENERAL
• SAMPLE
• TRANSIENT
• SPECTROGRAPH
• DETECTION
• RECORDER
• PUMP
• PROBE
• TEMPERATURE
• MFE
• TIME PROFILES
• COMMENT

The block “GENERAL” contains a bit of general information regarding the measurement.

The fields in detail:

• Filename
  • If there is one file per time trace (Ox), the file basename; the actual name for each file will be contained in a separate block in this case.
• Spectrometer
  • For Freiburg: “LP920-K”; for Oxford: “lab-built” (or something more reasonable)
  • This value is a “switch” that defines how the info file gets parsed and processed and which (optional) blocks and fields will be looked for.

The block “SAMPLE” contains the most important informations regarding the sample.

The fields in detail:

The fields in detail:

The fields in detail:

The fields in detail:

The block “RECORDER” contains all parameters of the transient recorder (ideally directly retrieved from the device).

The fields in detail:

The fields in detail:

The fields in detail:

• Wavelength start/stop
  • These are the respective start and stop values of the wavelength axie.
  • In case of “down” measurement the start value is the larger value.
  • MATLAB® should account for the direction and convert the data if necessary.

The fields in detail:

The fields in detail:

This block is only of interest if - as in Oxford - all time traces are separately (and manually) recorded and saved in separate files. As during a measurement details - such as filters in the probe beam - may change, there are a number of fields with information specific for each time trace.

The fields in detail, each for a single time trace:

• Wavelength
  • This is the actual wavelength measured at, even if the filename seems to suggest something different.⁷⁾
• Filter
  • More than one filter may be used at the same time.
  • In case of more than one filter, a comma separated list of filter descriptions.
  • Filters get described by a common scheme:: XX###
    • XX stands for the filter type: LP - long pass; SP - short pass; BP - band pass
    • ### stands for the filter's characteristic/nominal wavelength
    • In case of BP, the scheme is: BP###-###
      (with start and end wavelength of the band)

As long as the comment block is the last block of a file, everything can be added here that seems useful and sensible.

Following an example of an info file for a TA measurement with the full set of (possible) fields and blocks. Depending on where the file gets used, some of these fields/blocks may not be present.

TA Info file - v. 0.2d (2012-03-31)

GENERAL
Filename:               
Date:                   
Time start:             
Time end:               
Operator:               
Label:                  
Spectrometer:           
Software:               
Runs:                   
Shot repetition rate:     

SAMPLE
Name:                   
Description:            
Preparation:            
Cuvette:                

TRANSIENT
Points:                 
Trigger position:       
Length:                 

SPECTROGRAPH
Type:                   
Model:                  
Aperture front:         
Aperture back:          

DETECTION
Type:                   
Model:                  
Power supply:           
Impedance:              
Time constant:          

RECORDER
Model:                  
Averages:               
Sensitivity:            
Bandwidth:              
Time base:              
Coupling:               

PUMP
Type:                   
Model:                  
Wavelength:             
Power:                  
Repetition rate:        
Tunable type:           
Tunable model:          
Tunable dye:            

PROBE
Type:                   
Model:                  
Wavelength start:       
Wavelength stop:        
Wavelength step:        
Wavelength sequence:    
Power:                  
Filter:                 
Background:             

TEMPERATURE
Temperature:            
Controller:             
Cryostat:               
Cryogen:                

MFE
Field:                  
Coil type:              
Coil model:             
Power supply:           
Gaussmeter:             

TIME PROFILES
Scan 1
Filename:               
Wavelength:             
Averages:               
Runs:                   
Filter:                 
Scan 2
Filename:               
Wavelength:             
Averages:               
Runs:                   
Filter:                 

COMMENT

ta-freiburg.info

TA Info file - v. 0.2d (2012-03-31)

GENERAL
Filename:               test
Date:                   20xx-xx-xx
Time start:             00:00:00
Time end:               00:00:00
Operator:               A. Kabelschacht
Label:                  Testprobe
Spectrometer:           LP920-K
Software:               L900, Version 6.9.1
Runs:                   1
Shot repetition rate:   0.0625 Hz

SAMPLE
Name:                   FAD
Description:            FAD in Puffer
Preparation:            
Cuvette:                

TRANSIENT
Points:                 2000
Trigger position:       341
Length:                 10 us

SPECTROGRAPH
Type:                   Czerny-Turner with Triple Grating Turret
Model:                  standard
Aperture front:         
Aperture back:          

DETECTION
Type:                   PMT
Model:                  standard
Power supply:           standard
Impedance:              50 Ohm
Time constant:          

RECORDER
Model:                  
Averages:               10
Sensitivity:            
Bandwidth:              1.0
Time base:              5 ns
Coupling:               

PUMP
Type:                   Laser
Model:                  
Wavelength:             460 nm
Power:                  
Repetition rate:        10 Hz
Tunable type:           OPO
Tunable model:          

PROBE
Type:                   Lamp
Model:                  standard
Wavelength start:       385 nm
Wavelength stop:        655 nm
Wavelength step:        10 nm
Wavelength sequence:    up
Power:                  
Filter:                 
Background:             lamp

TEMPERATURE
Temperature:            285 K
Controller:             
Cryostat:               none
Cryogen:                H2O

COMMENT

Und hier gibt's ein bisschen Freitextkommentar - aber bitte OHNE Umlaute und andere Sonderzeichen!

ta-oxford.info

TA Info file - v. 0.2d (2012-03-31)

GENERAL
Filename:               test
Date:                   20xx-xx-xx
Time start:             00:00:00
Time end:               00:00:00
Operator:               A. Kabelschacht
Label:                  Test sample
Spectrometer:           Oxford CRY Lab
Software:               Slow20111104
Runs:                   1
Shot repetition rate:   1/20 Hz

SAMPLE
Name:                   FAD
Description:            FAD in buffer
Preparation:            
Cuvette:                Hellma QS 10.00

TRANSIENT
Points:                 25000
Trigger position:       2500
Length:                 50 us

SPECTROGRAPH
Type:                   Ebert-Fastie
Model:                  Oriel 77250
Aperture front:         
Aperture back:          

DETECTION
Type:                   PMT
Model:                  Hamamatsu R928
Power supply:           Brandenburg 476R
Impedance:              500 Ohm
Time constant:          50 ns

RECORDER
Model:                  Iwatsu-LeCroy LT342L 500 MHz
Averages:               1
Sensitivity:            5.0 mV
Bandwidth:              500 MHz
Time base:              5.0 us
Coupling:               DC

PUMP
Type:                   Laser
Model:                  Continuum Surelite-1
Wavelength:             450 nm
Power:                  3 mJ
Repetition rate:        1 Hz
Tunable type:           Dye
Tunable model:          Sirah Cobra
Tunable dye:            Coumarin-450

PROBE
Type:                   Lamp
Model:                  Oriel 66021
Wavelength start:       370 nm
Wavelength stop:        650 nm
Wavelength step:        10 nm
Wavelength sequence:    530-650,530-370
Power:                  
Filter:                 LP390,LP500
Background:             

TEMPERATURE
Temperature:            
Controller:             Oxford ITC-503S
Cryostat:               Oxford Instruments
Cryogen:                LN2

MFE
Field:                  22 mT
Coil type:              Helmholtz
Coil model:             
Power supply:           
Gaussmeter:             

TIME PROFILES
Scan 1
Filename:               
Wavelength:             
Averages:               
Runs:                   
Filter:                 
Scan 2
Filename:               
Wavelength:             
Averages:               
Runs:                   
Filter:                 

COMMENT