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Update comments and program date
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alchemistmatt committed Jan 10, 2022
1 parent 1c6a5c6 commit 9956801
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Showing 2 changed files with 13 additions and 2 deletions.
11 changes: 11 additions & 0 deletions src/main/java/edu/ucsd/msjava/parser/MgfSpectrumParser.java
Original file line number Diff line number Diff line change
Expand Up @@ -165,11 +165,16 @@ public Spectrum readSpectrum(LineReader lineReader) {
} else if (buf.startsWith("SCANS")) {
if (buf.matches(".+=\\d+-\\d+")) // e.g. SCANS=953-959
{
// Scan range
// SCANS=7654-7662
int startScanNum = Integer.parseInt(buf.substring(buf.indexOf('=') + 1, buf.lastIndexOf('-')));
int endScanNum = Integer.parseInt(buf.substring(buf.lastIndexOf('-') + 1));
spec.setStartScanNum(startScanNum);
spec.setEndScanNum(endScanNum);
} else {
// Single scan
// SCANS=1106

// Look for a single integer after the equals sign
try {
int scanNum = Integer.valueOf(buf.substring(buf.indexOf("=") + 1));
Expand Down Expand Up @@ -343,6 +348,12 @@ public Map<Integer, SpectrumMetaInfo> getSpecMetaInfoMap(BufferedRandomAccessLin
String title = buf.substring(buf.indexOf('=') + 1);
metaInfo.setAdditionalInfo("title", title);
} else if (buf.startsWith("PEPMASS")) {
// This could be a single mass
// PEPMASS=494.5596

// Or a mass, intensity, and charge
// PEPMASS=570.85805 2840724.1 2

String[] token = buf.substring(buf.indexOf("=") + 1).split("\\s+");
float precursorMz = Float.valueOf(token[0]);
metaInfo.setPrecursorMz(precursorMz);
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4 changes: 2 additions & 2 deletions src/main/java/edu/ucsd/msjava/ui/MSGFPlus.java
Original file line number Diff line number Diff line change
Expand Up @@ -22,8 +22,8 @@


public class MSGFPlus {
public static final String VERSION = "Release (v2021.09.06)";
public static final String RELEASE_DATE = "06 September 2021";
public static final String VERSION = "Release (v2022.01.07)";
public static final String RELEASE_DATE = "07 January 2022";

public static final String DECOY_DB_EXTENSION = ".revCat.fasta";
public static final String DEFAULT_DECOY_PROTEIN_PREFIX = "XXX";
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