Data Format of Peak List Files - Revision history

Laschp: /* Database spectra - C.dbs */

2026-03-09T10:02:02Z

Database spectra - C.dbs

← Older revision		Revision as of 12:02, 9 March 2026
Line 291:		Line 291:
	\|-		\|-
	\| ids		\| ids
	\| id of the individual mass ~~spectrum~~ that contributed to the given database spectrum		\| ID's of the individual mass spectra that contributed to the given database spectrum
	\| char array		\| char array
	\|-		\|-

Laschp: /* Average spectra - C.avr */

2026-03-09T10:01:37Z

Average spectra - C.avr

← Older revision		Revision as of 12:01, 9 March 2026
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	\|-		\|-
	\| ids		\| ids
	\| id of the individual mass ~~spectrum~~ that contributed to the given average spectrum		\| ID's of the individual mass spectra that contributed to the given average spectrum
	\| char array		\| char array
	\|-		\|-
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	\| char array		\| char array
	\|}		\|}


	== Quality test results - '''''C.qt''''' ==		== Quality test results - '''''C.qt''''' ==

Laschp: /* Quality test results - C.qt */

2026-03-09T10:01:15Z

Quality test results - C.qt

← Older revision		Revision as of 12:01, 9 March 2026
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	\|-		\|-
	\| rnk		\| rnk
	\| overall rank ~~that~~ the given spectrum has achieved in a QT with a number of other spectra		\| overall rank the given spectrum has achieved in a QT with a number of other spectra
	\| float32		\| float32
	\|-		\|-

Laschp: /* Calibration information - C.ccl */

2025-04-11T09:32:32Z

Calibration information - C.ccl

← Older revision		Revision as of 11:32, 11 April 2025
Line 214:		Line 214:
	\| calibration constant 1		\| calibration constant 1
	\| float32		\| float32
	\| rowspan="15" style="background: #ffffff;" valign="top" \| [[File:calibration-format-spec-struc.png\|250px\|thumb\|center\|Screenshot showing the ~~content~~ of the structure array C.ccl containing the calibration info (calibration constants, delay time, number of spectrum data points, etc.)]]		\| rowspan="15" style="background: #ffffff;" valign="top" \| [[File:calibration-format-spec-struc.png\|250px\|thumb\|center\|Screenshot showing the contents of the structure array ''C.ccl'' containing the calibration info (calibration constants, delay time, number of spectrum data points, etc.)]]
	\|-		\|-
	\| cl2		\| cl2
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	\| char array		\| char array
	\|}		\|}


	== Database spectra - '''''C.dbs''''' ==		== Database spectra - '''''C.dbs''''' ==

Laschp: /* Fields of the structure array - C */

2025-04-11T09:32:08Z

Fields of the structure array - C

← Older revision		Revision as of 11:32, 11 April 2025
Line 18:		Line 18:
	\| spectra id		\| spectra id
	\| char array		\| char array
	\| rowspan="39" style="background: #ffffff;" valign="top" \| [[File:Multifile-format-spec-struc.png\|250px\|thumb\|center\|Screenshot showing the ~~content~~ of the structure array ''C'' that is stored in ''so called'' spectrum multi files (*.muf). Fields of ''C'' contain spectral data (original, i.e. unmodified, and pre-processed), spectrum metadata as well as peak lists, calibration information, results of quality tests, and information collected during creation of average, or database spectra. The example screenshot shows the contents of a database spectrum.]]		\| rowspan="39" style="background: #ffffff;" valign="top" \| [[File:Multifile-format-spec-struc.png\|250px\|thumb\|center\|Screenshot showing the contents of the structure array ''C'' that is stored in ''so called'' spectrum multi files (*.muf). Fields of ''C'' contain spectral data (original, i.e. unmodified, and pre-processed), spectrum metadata as well as peak lists, calibration information, results of quality tests, and information collected during creation of average, or database spectra. The example screenshot shows the contents of a database spectrum.]]
	\|-		\|-
	\| gen		\| gen

Laschp: /* Fields of the structure array - C */

2025-04-11T09:31:42Z

Fields of the structure array - C

← Older revision		Revision as of 11:31, 11 April 2025
Line 18:		Line 18:
	\| spectra id		\| spectra id
	\| char array		\| char array
	\| rowspan="39" style="background: #ffffff;" valign="top" \| [[File:Multifile-format-spec-struc.png\|250px\|thumb\|center\|Screenshot showing the content of the structure array ''C'' that is stored in ''so called'' spectrum multi files (*.muf). Fields of ''C'' contain spectral data (original, i.e. unmodified, and pre-processed), spectrum metadata as well as peak lists, calibration information, results of quality tests, and information collected during creation of average, or database spectra. ~~In the~~ example ~~of the given~~ screenshot, the ~~content~~ of ~~one~~ database spectrum ~~is depicted~~.]]		\| rowspan="39" style="background: #ffffff;" valign="top" \| [[File:Multifile-format-spec-struc.png\|250px\|thumb\|center\|Screenshot showing the content of the structure array ''C'' that is stored in ''so called'' spectrum multi files (*.muf). Fields of ''C'' contain spectral data (original, i.e. unmodified, and pre-processed), spectrum metadata as well as peak lists, calibration information, results of quality tests, and information collected during creation of average, or database spectra. The example screenshot shows the contents of a database spectrum.]]
	\|-		\|-
	\| gen		\| gen

Laschp at 09:29, 11 April 2025

2025-04-11T09:29:59Z

← Older revision		Revision as of 11:29, 11 April 2025
Line 3:		Line 3:
	>> load('pkffname','-mat');		>> load('pkffname','-mat');

	where ''pkffname'' denotes the name of the peak list multifile. For example, the command ''load('RKI-ring-trial-test-data.pkf','-mat')'' will open the file ''RKI-ring-trial-test-data.pkf'', a MALDI-ToF mass peak list multifile containing 24 individual peak tables acquired from experimental MALDI-ToF mass spectra. The latter spectra were recorded within the ''so called'' [https://pubmed.ncbi.nlm.nih.gov/26063856/ '''RKI ring trial study''']. The file ''RKI-ring-trial-test-data.pkf'' can be downloaded [https://wiki.microbe-ms.com/upload/RKI-ring-trial-test-data.pkf: '''here''']. ~~If loading was successful, you~~ will have access to a new Matlab variable ''C'' (struc array). Details of the structure of ''C'' are described next.<br>   <br>		where ''pkffname'' denotes the name of the peak list multifile. For example, the command ''load('RKI-ring-trial-test-data.pkf','-mat')'' will open the file ''RKI-ring-trial-test-data.pkf'', a MALDI-ToF mass peak list multifile containing 24 individual peak tables acquired from experimental MALDI-ToF mass spectra. The latter spectra were recorded within the ''so called'' [https://pubmed.ncbi.nlm.nih.gov/26063856/ '''RKI ring trial study''']. The file ''RKI-ring-trial-test-data.pkf'' can be downloaded [https://wiki.microbe-ms.com/upload/RKI-ring-trial-test-data.pkf: '''here''']. <br>
			You will have access to a new Matlab variable ''C'' (struc array) if loading was successful. Details of the structure of ''C'' are described next.<br>   <br>

Laschp: /* Fields of the structure array - C */

2025-03-27T06:44:09Z

Fields of the structure array - C

← Older revision		Revision as of 08:44, 27 March 2025
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	\| spectra id		\| spectra id
	\| char array		\| char array
	\| rowspan="39" style="background: #ffffff;" valign="top" \| [[File:Multifile-format-spec-struc.png\|250px\|thumb\|center\|Screenshot showing the content of the structure array ''~~spec~~'' that is stored in ''so called'' spectrum multi files (*.muf). Fields of ''C'' contain spectral data (original, i.e. unmodified, and pre-processed), spectrum metadata as well as peak lists, calibration information, results of quality tests, and information collected during creation of average, or database spectra. In the example of the given screenshot, the content of one database spectrum is depicted.]]		\| rowspan="39" style="background: #ffffff;" valign="top" \| [[File:Multifile-format-spec-struc.png\|250px\|thumb\|center\|Screenshot showing the content of the structure array ''C'' that is stored in ''so called'' spectrum multi files (*.muf). Fields of ''C'' contain spectral data (original, i.e. unmodified, and pre-processed), spectrum metadata as well as peak lists, calibration information, results of quality tests, and information collected during creation of average, or database spectra. In the example of the given screenshot, the content of one database spectrum is depicted.]]
	\|-		\|-
	\| gen		\| gen

Laschp: /* Fields of the structure array - C */

2025-03-27T06:41:17Z

Fields of the structure array - C

← Older revision		Revision as of 08:41, 27 March 2025
Line 152:		Line 152:
	\|-		\|-
	\| ccl		\| ccl
	\| [[#structure array ccl\|calibration information]] ~~(see below)~~		\| [[#structure array ccl\|calibration information]]
	\| struc array		\| struc array
	\|-		\|-
	\| avr		\| avr
	\| [[#structure array avr\|average spectrum]] ~~(Yes:1, No:0)~~		\| [[#structure array avr\|average spectrum]]
	\| struc array		\| struc array
	\|-		\|-
	\| dbs		\| dbs
	\| [[#structure array dbs\|data base spectrum]] ~~(Yes:1, No:0)~~		\| [[#structure array dbs\|data base spectrum]]
	\| struc array		\| struc array
	\|-		\|-

Laschp: /* Database spectra - C.dbs */

2025-03-27T06:40:08Z

Database spectra - C.dbs

← Older revision		Revision as of 08:40, 27 March 2025
Line 288:		Line 288:
	\| specifies whether the current spectrum is a data base spectrum (1) or not (0)		\| specifies whether the current spectrum is a data base spectrum (1) or not (0)
	\| char array		\| char array
	\| rowspan="5" style="background: #ffffff;" valign="top" \|[[File:dbs-format-spec-struc.png\|250px\|thumb\|center\|Screenshot of structure array ''C.dbs''. This screenshot shows information like the spectrum id, taxonomic information, peak tables, respective peak detection parameters, etc of mass spectrum #1 [C(1).dbs(1,1)] that was used with others to obtain ~~an average~~ spectrum]]		\| rowspan="5" style="background: #ffffff;" valign="top" \|[[File:dbs-format-spec-struc.png\|250px\|thumb\|center\|Screenshot of structure array ''C.dbs''. This screenshot shows information like the spectrum id, taxonomic information, peak tables, respective peak detection parameters, etc of mass spectrum #1 [C(1).dbs(1,1)] that was used with others to obtain a database spectrum]]
	\|-		\|-
	\| ids		\| ids