@@ -177,39 +177,39 @@ private void WriteJsonMetada(IRawDataPlus rawFile, int firstScanNumber, int last
177177 rawFile . GetInstrumentData ( ) . HardwareVersion ) ) ;
178178 }
179179 }
180-
180+
181181 // MS Data
182- foreach ( KeyValuePair < string , int > entry in msTypes )
182+ if ( rawFile . SelectMsData ( ) )
183183 {
184- if ( entry . Key . Equals ( MSOrderType . Ms . ToString ( ) ) )
185- metadata . addMSData ( new CVTerm ( "PRIDE:0000481" , "PRIDE" , "Number of MS1 spectra" ,
186- entry . Value . ToString ( ) ) ) ;
187- if ( entry . Key . Equals ( MSOrderType . Ms2 . ToString ( ) ) )
188- metadata . addMSData ( new CVTerm ( "PRIDE:0000482" , "PRIDE" , "Number of MS2 spectra" ,
189- entry . Value . ToString ( ) ) ) ;
190- if ( entry . Key . Equals ( MSOrderType . Ms3 . ToString ( ) ) )
191- metadata . addMSData ( new CVTerm ( "PRIDE:0000483" , "PRIDE" , "Number of MS3 spectra" ,
192- entry . Value . ToString ( ) ) ) ;
193- }
184+ foreach ( KeyValuePair < string , int > entry in msTypes )
185+ {
186+ if ( entry . Key . Equals ( MSOrderType . Ms . ToString ( ) ) )
187+ metadata . addMSData ( new CVTerm ( "PRIDE:0000481" , "PRIDE" , "Number of MS1 spectra" ,
188+ entry . Value . ToString ( ) ) ) ;
189+ if ( entry . Key . Equals ( MSOrderType . Ms2 . ToString ( ) ) )
190+ metadata . addMSData ( new CVTerm ( "PRIDE:0000482" , "PRIDE" , "Number of MS2 spectra" ,
191+ entry . Value . ToString ( ) ) ) ;
192+ if ( entry . Key . Equals ( MSOrderType . Ms3 . ToString ( ) ) )
193+ metadata . addMSData ( new CVTerm ( "PRIDE:0000483" , "PRIDE" , "Number of MS3 spectra" ,
194+ entry . Value . ToString ( ) ) ) ;
195+ }
194196
195- metadata . addMSData ( new CVTerm ( "PRIDE:0000472" , "PRIDE" , "MS min charge" ,
196- minCharge . ToString ( CultureInfo . InvariantCulture ) ) ) ;
197- metadata . addMSData ( new CVTerm ( "PRIDE:0000473" , "PRIDE" , "MS max charge" ,
198- maxCharge . ToString ( CultureInfo . InvariantCulture ) ) ) ;
197+ metadata . addMSData ( new CVTerm ( "PRIDE:0000472" , "PRIDE" , "MS min charge" ,
198+ minCharge . ToString ( CultureInfo . InvariantCulture ) ) ) ;
199+ metadata . addMSData ( new CVTerm ( "PRIDE:0000473" , "PRIDE" , "MS max charge" ,
200+ maxCharge . ToString ( CultureInfo . InvariantCulture ) ) ) ;
199201
200- metadata . addMSData ( new CVTerm ( "PRIDE:0000474" , "PRIDE" , "MS min RT" ,
201- minTime . ToString ( CultureInfo . InvariantCulture ) ) ) ;
202- metadata . addMSData ( new CVTerm ( "PRIDE:0000475" , "PRIDE" , "MS max RT" ,
203- maxTime . ToString ( CultureInfo . InvariantCulture ) ) ) ;
202+ metadata . addMSData ( new CVTerm ( "PRIDE:0000474" , "PRIDE" , "MS min RT" ,
203+ minTime . ToString ( CultureInfo . InvariantCulture ) ) ) ;
204+ metadata . addMSData ( new CVTerm ( "PRIDE:0000475" , "PRIDE" , "MS max RT" ,
205+ maxTime . ToString ( CultureInfo . InvariantCulture ) ) ) ;
204206
205- metadata . addMSData ( new CVTerm ( "PRIDE:0000476" , "PRIDE" , "MS min MZ" ,
206- minMz . ToString ( CultureInfo . InvariantCulture ) ) ) ;
207- metadata . addMSData ( new CVTerm ( "PRIDE:0000477" , "PRIDE" , "MS max MZ" ,
208- maxMz . ToString ( CultureInfo . InvariantCulture ) ) ) ;
207+ metadata . addMSData ( new CVTerm ( "PRIDE:0000476" , "PRIDE" , "MS min MZ" ,
208+ minMz . ToString ( CultureInfo . InvariantCulture ) ) ) ;
209+ metadata . addMSData ( new CVTerm ( "PRIDE:0000477" , "PRIDE" , "MS max MZ" ,
210+ maxMz . ToString ( CultureInfo . InvariantCulture ) ) ) ;
209211
210- // Scan Settings
211- if ( rawFile . SelectMsData ( ) )
212- {
212+ // Scan Settings
213213 // Get the start and end time from the RAW file
214214 var startTime = rawFile . RunHeaderEx . StartTime ;
215215 var endTime = rawFile . RunHeaderEx . EndTime ;
@@ -334,31 +334,31 @@ private void WriteTextMetadata(IRawDataPlus rawFile, int firstScanNumber, int la
334334 }
335335
336336 // MS Data
337- output . Add ( "#MsData" ) ;
338- foreach ( KeyValuePair < string , int > entry in msTypes )
337+ if ( rawFile . SelectMsData ( ) )
339338 {
340- if ( entry . Key . Equals ( MSOrderType . Ms . ToString ( ) ) )
341- output . Add ( "Number of MS1 spectra=" + entry . Value ) ;
342- if ( entry . Key . Equals ( MSOrderType . Ms2 . ToString ( ) ) )
343- output . Add ( "Number of MS2 spectra=" + entry . Value ) ;
344- if ( entry . Key . Equals ( MSOrderType . Ms3 . ToString ( ) ) )
345- output . Add ( "Number of MS3 spectra=" + entry . Value ) ;
346- }
347-
348- output . AddRange ( new List < string >
339+ output . Add ( "#MsData" ) ;
340+ foreach ( KeyValuePair < string , int > entry in msTypes )
349341 {
350- "MS min charge=" + minCharge . ToString ( CultureInfo . InvariantCulture ) ,
351- "MS max charge =" + maxCharge . ToString ( CultureInfo . InvariantCulture ) ,
352- $ "MS min RT= { minTime . ToString ( CultureInfo . InvariantCulture ) } " ,
353- $ "MS max RT= { maxTime . ToString ( CultureInfo . InvariantCulture ) } " ,
354- $ "MS min MZ= { minMz . ToString ( CultureInfo . InvariantCulture ) } " ,
355- $ "MS max MZ= { maxMz . ToString ( CultureInfo . InvariantCulture ) } "
342+ if ( entry . Key . Equals ( MSOrderType . Ms . ToString ( ) ) )
343+ output . Add ( "Number of MS1 spectra =" + entry . Value ) ;
344+ if ( entry . Key . Equals ( MSOrderType . Ms2 . ToString ( ) ) )
345+ output . Add ( "Number of MS2 spectra=" + entry . Value ) ;
346+ if ( entry . Key . Equals ( MSOrderType . Ms3 . ToString ( ) ) )
347+ output . Add ( "Number of MS3 spectra=" + entry . Value ) ;
356348 }
357- ) ;
358349
359- // Scan Settings
360- if ( rawFile . SelectMsData ( ) )
361- {
350+ output . AddRange ( new List < string >
351+ {
352+ "MS min charge=" + minCharge . ToString ( CultureInfo . InvariantCulture ) ,
353+ "MS max charge=" + maxCharge . ToString ( CultureInfo . InvariantCulture ) ,
354+ $ "MS min RT={ minTime . ToString ( CultureInfo . InvariantCulture ) } ",
355+ $ "MS max RT={ maxTime . ToString ( CultureInfo . InvariantCulture ) } ",
356+ $ "MS min MZ={ minMz . ToString ( CultureInfo . InvariantCulture ) } ",
357+ $ "MS max MZ={ maxMz . ToString ( CultureInfo . InvariantCulture ) } "
358+ }
359+ ) ;
360+
361+ // Scan Settings
362362 // Get the start and end time from the RAW file
363363 var startTime = rawFile . RunHeaderEx . StartTime ;
364364 var endTime = rawFile . RunHeaderEx . EndTime ;
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