Sample and Sequence Information
SeqRow, InjectionData, ASInfo
6. SeqRow
The Sequence Row contains sample identification and method file references from the Xcalibur sequence table. Immediately follows the FileHeader.
6.1 Structure (Version 66)
| Order | Type | Field | Description |
|---|---|---|---|
| 1 | InjectionData | injection | Injection parameters (64 bytes, see §7) |
| 2 | PascalStringWin32 | unknown_text[a] | Usually empty |
| 3 | PascalStringWin32 | unknown_text[b] | Usually empty |
| 4 | PascalStringWin32 | id | Sample/sequence ID |
| 5 | PascalStringWin32 | comment | Sample comment (e.g. column description) |
| 6 | PascalStringWin32 | user_label[1] | User-defined label 1 |
| 7 | PascalStringWin32 | user_label[2] | User-defined label 2 |
| 8 | PascalStringWin32 | user_label[3] | User-defined label 3 |
| 9 | PascalStringWin32 | user_label[4] | User-defined label 4 |
| 10 | PascalStringWin32 | user_label[5] | User-defined label 5 |
| 11 | PascalStringWin32 | inst_method | Instrument method file path |
| 12 | PascalStringWin32 | proc_method | Processing method file path |
| 13 | PascalStringWin32 | file_name | Original RAW file path on acquisition system |
| 14 | PascalStringWin32 | path | Directory path of RAW file |
| 15 | PascalStringWin32 | vial | Autosampler vial position |
| 16 | PascalStringWin32 | unknown_text[c] | Usually empty |
| 17 | PascalStringWin32 | unknown_text[d] | Usually empty |
| 18 | UInt32 | unknown_long | |
| 19-33 | PascalStringWin32 | unknown_text[e-s] | 15 additional text fields (usually empty) |
6.2 Version Differences
| Version | Extra fields after common 14 |
|---|---|
| v8 | None |
| v47, v57 | vial + unk_c + unk_d + unknown_long |
| v60-v66 | vial + unk_c + unk_d + unknown_long + unk_e through unk_s (15 more strings) |
7. InjectionData
The first sub-structure within SeqRow. Fixed size.
| Offset | Size | Type | Field | Description |
|---|---|---|---|---|
| 0x00 | 4 | UInt32 | unknown_long[1] | |
| 0x04 | 4 | UInt32 | n | Sequence table row number (0-based in some versions, 1-based in others) |
| 0x08 | 4 | UInt32 | unknown_long[2] | |
| 0x0C | 12 | UTF16LE(12) | vial | Vial identifier (6 chars max) |
| 0x18 | 8 | Float64 | injection_volume | Injection volume (µL) |
| 0x20 | 8 | Float64 | weight | Sample weight |
| 0x28 | 8 | Float64 | volume | Sample volume |
| 0x30 | 8 | Float64 | istd_amount | Internal standard amount |
| 0x38 | 8 | Float64 | dilution_factor | Dilution factor |
Total size: 12 + 12 + 40 = 64 bytes
8. ASInfo
Autosampler information. Immediately follows SeqRow.
| Order | Type | Field | Description |
|---|---|---|---|
| 1 | ASInfoPreamble | preamble | 24 bytes of numeric parameters |
| 2 | PascalStringWin32 | text | Autosampler tray description (e.g. "6x8 vials", "ANSI-48Vial2mLHolder/ANSI-48Vial2mLHolder") |
8.1 ASInfoPreamble
| Offset | Size | Type | Field |
|---|---|---|---|
| 0x00 | 4 | UInt32 | unknown_long[1] |
| 0x04 | 4 | UInt32 | unknown_long[2] |
| 0x08 | 4 | UInt32 | number_of_wells |
| 0x0C | 4 | UInt32 | unknown_long[3] |
| 0x10 | 4 | UInt32 | unknown_long[4] |
| 0x14 | 4 | UInt32 | unknown_long[5] |
Total size: 24 bytes