mqxml/mqXMLAPI.h

#ifndef _MQXML_API_H_
#define _MQXML_API_H_

// scanInfo;
typedef struct 
{
        int     mqXMLScanID;
        int     mqXMLOrigScanNumber;
        float   mqXMLScanTime;
        int     mqXMLScanMultiplicity;
        char    mqXMLScanType;
        char    mqXMLScanExpansion;
        char    mqXMLChargeMode;
        float   mqXMLMzRangeBegin;
        float   mqXMLMzRangeEnd;
        float   mqXMLMaxPeakIntensity;
        float   mqXMLTotalIonCurrent;
        int     mqXMLScanTagID;
        int     mqXMLMzRulerID;
        int     mqXMLParentScanNumber;
        float   mqXMLParentMZ;
        char *  mqXMLScanComment;
        long int mqXMLFilePosition; 
} mqXMLSingleScanInfo;

// mzProfileRuler;
typedef struct
{
        int     mqXMLMzRulerID;
        int     mqXMLNumberMzValues;
        float * mqXMLRuler;

} mqXMLMzRuler;

typedef struct 
{
        int mqXMLScanID;
        int mqXMLNumInt;
        int mqXMLDataType;   // 1=profile; 2=centroid (point); 3=zero compress profile
        float * mqXMLScanData;
} mqXMLSingleScanData;

typedef  struct 
{
        char * mqXMLExperimentName;
        char * mqXMLExperimentDate;
        int    mqXMLTotalNumberOfScans;
        int    mqXMLTotalNumberOfMZRulers;
        char * mqXMLExperimentDescription;
        char * mqXMLDataSources;

        char * mqXMLInstrumentName;
        char * mqXMLIonizationInfo;
        char * mqXMLChromatogramInfo;
        char * mqXMLOtherInfo;

        mqXMLSingleScanInfo * mqXMLScanInfo;
        long int * mqXMLMZRulerFilePosition;
        FILE * mqXMLDataFile;

} mqXMLTopology; 

void mqXMLGetScanTopology(char * szExpName, mqXMLTopology * scanTopology);
void mqXMLGetRuler(mqXMLTopology * mqXMLScanTopology, int rulerID, mqXMLMzRuler *rulerData);
void mqXMLGetScanData(mqXMLTopology * mqXMLScanTopology, int scanID, mqXMLSingleScanData *sscanData);
void mqXMLCloseDataFile(mqXMLTopology * mqXMLScanTopology);

#endif

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