Format of Spectral Multifiles - Revision history

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

2026-03-09T10:00:22Z

Quality test results - spec.qt

← Older revision		Revision as of 12:00, 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: /* Average spectra - spec.avr */

2026-03-09T09:58:29Z

Average spectra - spec.avr

← Older revision		Revision as of 11:58, 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 - '''''spec.qt''''' ==		== Quality test results - '''''spec.qt''''' ==

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

2026-03-09T09:58:04Z

Database spectra - spec.dbs

← Older revision		Revision as of 11:58, 9 March 2026
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	\|-		\|-
	\| ids		\| ids
	\| id's of the individual mass spectra 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: /* Database spectra - spec.dbs */

2026-03-09T09:57:47Z

Database spectra - spec.dbs

← Older revision		Revision as of 11:57, 9 March 2026
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	\|-		\|-
	\| 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 at 09:55, 9 March 2026

2026-03-09T09:55:46Z

← Older revision		Revision as of 11:55, 9 March 2026
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	Spectra multifiles combine multiple spectra in one single file. ~~These~~ files are stored in a Matlab™ specific format ~~and~~ contain ~~the~~ spectral, as well as ~~the respective~~ metadata. Spectra multifiles can be loaded in the Matlab environment by entering the following command at the Matlab command prompt:		Spectra multifiles combine metadata and spectral data from multiple mass spectra in one single file. Such multifiles files are stored in a Matlab™ specific format, structure arrays, that contain different files for spectral data as well as metadata. Spectra multifiles can be loaded in the Matlab environment by entering the following command at the Matlab command prompt:

	>> load('muffname','-mat');		>> load('muffname','-mat');

Laschp at 16:01, 11 April 2025

2025-04-11T16:01:02Z

← Older revision		Revision as of 18:01, 11 April 2025
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	>> load('muffname','-mat');		>> load('muffname','-mat');

	where ''muffname'' denotes the name of the spectrum multifile. For example, the command ''load('RKI-ring-trial-spectra.muf','-mat')'' will open the file ''RKI-ring-trial-spectra.muf'', a MALDI-ToF mass spectrum multifile containing 24 individual MALDI-~~TOF~~ mass spectra acquired within the ''so called'' [https://pubmed.ncbi.nlm.nih.gov/26063856/ '''RKI ring trial study''']. The file ''RKI-ring-trial-spectra.muf'' can be downloaded [https://wiki.microbe-ms.com/upload/RKI-ring-trial-spectra.muf: '''here''']. If loading was successful, you will have access to a new Matlab variable ''spec'' (struc array). Details of the structure of ''spec'' are described next.<br>   <br>		where ''muffname'' denotes the name of the spectrum multifile. For example, the command ''load('RKI-ring-trial-spectra.muf','-mat')'' will open the file ''RKI-ring-trial-spectra.muf'', a MALDI-ToF mass spectrum multifile containing 24 individual MALDI-ToF mass spectra acquired within the ''so called'' [https://pubmed.ncbi.nlm.nih.gov/26063856/ '''RKI ring trial study''']. The file ''RKI-ring-trial-spectra.muf'' can be downloaded [https://wiki.microbe-ms.com/upload/RKI-ring-trial-spectra.muf: '''here''']. If loading was successful, you will have access to a new Matlab variable ''spec'' (struc array). Details of the structure of ''spec'' are described next.<br>   <br>

	== Fields of the structure array - '''''spec''''' ==		== Fields of the structure array - '''''spec''''' ==

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

2025-03-27T06:39:24Z

Fields of the structure array - spec

← Older revision		Revision as of 08:39, 27 March 2025
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	\|-		\|-
	\| ccl		\| ccl
	\| [[#structure array ccl\|calibration information]] ~~(see below)~~		\| [[#structure array ccl\|calibration information]]
	\| struc array		\| struc array
	\|-		\|-

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

2025-03-27T06:38:45Z

Fields of the structure array - spec

← Older revision		Revision as of 08:38, 27 March 2025
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	\|-		\|-
	\| 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 - spec.dbs */

2025-03-27T06:38:09Z

Database spectra - spec.dbs

← Older revision		Revision as of 08:38, 27 March 2025
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	\| 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 ''spec.dbs''. This screenshot shows information like the spectrum id, taxonomic information, peak tables, respective peak detection parameters, etc of mass spectrum #1 [spec(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 ''spec.dbs''. This screenshot shows information like the spectrum id, taxonomic information, peak tables, respective peak detection parameters, etc of mass spectrum #1 [spec(1).dbs(1,1)] that was used with others to obtain a database spectrum]]
	\|-		\|-
	\| ids		\| ids
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	\| char array		\| char array
	\|}		\|}


	== Average spectra - '''''spec.avr''''' ==		== Average spectra - '''''spec.avr''''' ==

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

2024-12-16T09:32:40Z

Fields of the structure array - spec

← Older revision		Revision as of 11:32, 16 December 2024
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	\|-		\|-
	\| lms		\| lms
	\| MALDI-ToF MS, or LC-~~MSsup1~~; data? (0: MALDI, 1: LC-~~MSsup1~~;)		\| MALDI-ToF MS, or LC-MS¹ data? (0: MALDI, 1: LC-MS¹)
	\| float32		\| float32
	\|-		\|-