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# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack.package import *
class RMaldiquant(RPackage):
"""Quantitative Analysis of Mass Spectrometry Data.
A complete analysis pipeline for matrix-assisted laser
desorption/ionization-time-of-flight (MALDI-TOF) and other two-dimensional
mass spectrometry data. In addition to commonly used plotting and
processing methods it includes distinctive features, namely baseline
subtraction methods such as morphological filters (TopHat) or the
statistics-sensitive non-linear iterative peak-clipping algorithm (SNIP),
peak alignment using warping functions, handling of replicated measurements
as well as allowing spectra with different resolutions."""
cran = "MALDIquant"
version("1.22.1", sha256="0a52a55dbe76a7e7ca50c5555fea4381eeda0c215c66e420d8dc9bfd2992411c")
version("1.21", sha256="0771f82034aa6a77af67f3572c900987b7e6b578d04d707c6e06689d021a2ff8")
version("1.19.3", sha256="a730327c1f8d053d29e558636736b7b66d0671a009e0004720b869d2c76ff32c")
version("1.19.2", sha256="8c6efc4ae4f1af4770b079db29743049f2fd597bcdefeaeb16f623be43ddeb87")
version("1.16.4", sha256="9b910dbd5dd1a739a17a7ee3f83d7e1ebad2fee89fd01a5b274415d2b6d3b0de")
depends_on("r@3.2.0:", type=("build", "run"))
depends_on("r@4.0.0:", type=("build", "run"), when="@1.21:")
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