createSqMass {DIAlignR} | R Documentation

## Create an sqMass file

### Description

Writes a sqMass file having chromatograms and their native IDs.

### Usage

    createSqMass(filename, XICs, transitionIDs, lossy)

### Arguments

`filename` | (string) name of the mzML file to be written. Extension should be .chrom.sqMass.
`XICs` | (list of list of data-frames) list of extracted ion chromatograms of all precursors.
`transitionIDs` | (list of integer) length must be the same as of XICs.
`lossy` | (logical) if TRUE, time and intensity are lossy-compressed.

### Details

- compression is one of 0 = no, 1 = zlib, 2 = np-linear, 3 = np-slof, 4 = np-pic, 5 = np-linear + zlib, 6 = np-slof + zlib, 7 = np-pic + zlib
- data_type is one of 0 = mz, 1 = int, 2 = rt
- data contains the raw (blob) data for a single data array

### Value

(None)

### Author(s)

Shubham Gupta, shubh.gupta@mail.utoronto.ca

ORCID: 0000-0003-3500-8152

License: (c) Author (2021) + GPL-3 Date: 2021-01-16

### See Also

`createMZML, blobXICs`

### Examples

    data(XIC_QFNNTDIVLLEDFQK_3_DIAlignR)
    XICs <- XIC_QFNNTDIVLLEDFQK_3_DIAlignR[["hroest_K120808_Strep10%PlasmaBiolRepl1_R03_SW_filt"]]
    XICs <- list(XICs[[1]], XICs[[1]])
    nativeIds <- list(27706:27711, 1:6)
    sqName <- "testfile.chrom.sqMass"
    ## Not run:
    createSqMass(sqName, XICs, nativeIds, TRUE)
    con <- DBI::dbConnect(RSQLite::SQLite(), dbname = sqName)
    XIC_group <- extractXIC_group2(con, 0:5)
    DBI::dbDisconnect(con)
    file.remove(sqName)

    ## End(Not run)

[Package DIAlignR version 2.2.0 Index]