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Resent-From: =?utf-8?b?TcSDZMSDbGlu?= Ionel =?utf-8?b?UGF0cmHImWN1?= Original-Sender: "Debbugs-submit" Resent-CC: rekado@elephly.net, guix-patches@gnu.org Resent-Date: Tue, 17 Jan 2023 12:27:02 +0000 Resent-Message-ID: Resent-Sender: help-debbugs@gnu.org X-GNU-PR-Message: followup 60877 X-GNU-PR-Package: guix-patches X-GNU-PR-Keywords: patch To: <60877@debbugs.gnu.org> Cc: rekado@elephly.net X-Debbugs-Original-Xcc: rekado@elephly.net Received: via spool by 60877-submit@debbugs.gnu.org id=B60877.167395836529329 (code B ref 60877); Tue, 17 Jan 2023 12:27:02 +0000 Received: (at 60877) by debbugs.gnu.org; 17 Jan 2023 12:26:05 +0000 Received: from localhost ([127.0.0.1]:36018 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1pHl2T-0007cu-4i for submit@debbugs.gnu.org; Tue, 17 Jan 2023 07:26:05 -0500 Received: from a2062.mx.srv.dfn.de ([194.95.232.172]:37543) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1pHl2P-0007bj-CG for 60877@debbugs.gnu.org; Tue, 17 Jan 2023 07:26:02 -0500 DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/simple; d=mdc-berlin.de; h= content-type:content-type:content-transfer-encoding:mime-version :references:in-reply-to:x-mailer:message-id:date:date:subject :subject:from:from:received; s=mdc; t=1673958355; x=1675772756; bh=5YVTqdFMF0Sc8IRrmNabLIHYx4YQq1/G3lO6kUjOSLE=; b=VYAfDtMddXry 4PuC7kFkPOv/cEs0AnB9SRXtOH4AgtO35Yc7EFlcxJ7/HskkIvRLk73V9YBRnuT+ 2v8pNoPwJio9vhz27+c3pBIqKPtb80lGrteQxcj9cG2g271FlSaAil/vbVmlNm6l quGukjRjjUb1nk3QxmNk1Y2l5AB0wnw= Received: from SW-IT-P-EX4.mdc-berlin.net (mgw4.mdc-berlin.de [141.80.113.62]) by a2062.mx.srv.dfn.de (Postfix) with ESMTPS id 24A69A0116 for <60877@debbugs.gnu.org>; Tue, 17 Jan 2023 13:25:55 +0100 (CET) Received: from pimi-TRX40-AORUS-PRO-WIFI.lan (77.23.232.54) by SW-IT-P-EX4.mdc-berlin.net (141.80.113.62) with Microsoft SMTP Server (version=TLS1_2, cipher=TLS_ECDHE_RSA_WITH_AES_256_GCM_SHA384) id 15.1.2507.17; Tue, 17 Jan 2023 13:25:49 +0100 From: =?utf-8?b?TcSDZMSDbGlu?= Ionel =?utf-8?b?UGF0cmHImWN1?= Date: Tue, 17 Jan 2023 13:25:38 +0100 Message-ID: <20230117122538.41537-4-madalinionel.patrascu@mdc-berlin.de> X-Mailer: git-send-email 2.38.1 In-Reply-To: <20230117122538.41537-1-madalinionel.patrascu@mdc-berlin.de> References: <20230117122538.41537-1-madalinionel.patrascu@mdc-berlin.de> MIME-Version: 1.0 X-Originating-IP: [77.23.232.54] X-ClientProxiedBy: SW-IT-P-EX2.mdc-berlin.net (141.80.113.60) To SW-IT-P-EX4.mdc-berlin.net (141.80.113.62) X-TM-AS-Product-Ver: SMEX-14.0.0.3092-9.0.1002-27390.007 X-TM-AS-Result: No-10--0.341900-5.000000 X-TMASE-MatchedRID: NGDYxnKYxb3/R1NSMc2qCU7nLUqYrlslFIuBIWrdOeOjEIt+uIPPOAbo TDS3zulAcjTcMkuJPYknjvpTqmXN2tt5RGkMP+aywLYk+NSxc5oGAD6h6FZmEe88qtLWjN6Ygtp dYIvYnioS232z3nHFPNABuz7vZSu5OEt+E9fCvHuB381iZ59HqJ1Koz3Y/YrHY51XDO6Dn5g69K 4zHVFUDgx/sJ74sgV26a3flwysHKPQ3sOMB3Fk1OLzNWBegCW2wgn7iDBesS2sWV0bdkf4OXSm0 LYJYAIAsDQqn/EvP1ZTiG+aiMwbEW5/gLf2hWzlcU6vWnje8OtFpF827xwzbi5D4iH5KETID1ik DpaEHjF0wmQM6M5DiQcI4N0jMK86dAnzxkc/wOO+Yl/q6i1mnv1mO1iYLJDqT4cbBIKMuHq+68H qACCvKA== X-TM-AS-User-Approved-Sender: Yes X-TM-AS-User-Blocked-Sender: No X-TMASE-Result: 10--0.341900-5.000000 X-TMASE-Version: SMEX-14.0.0.3092-9.0.1002-27390.007 X-TM-SNTS-SMTP: 60F3800BC38BD2A62478B1230473CB1EA809856A3858935FC5B1A89181A2C8912002:F X-BeenThere: debbugs-submit@debbugs.gnu.org X-Mailman-Version: 2.1.18 Precedence: list X-BeenThere: guix-patches@gnu.org List-Id: List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , Errors-To: guix-patches-bounces+patchwork=mira.cbaines.net@gnu.org Sender: guix-patches-bounces+patchwork=mira.cbaines.net@gnu.org X-getmail-retrieved-from-mailbox: Patches * gnu/packages/bioconductor.scm (r-alpsnmr): New variable. --- gnu/packages/bioconductor.scm | 53 +++++++++++++++++++++++++++++++++++ 1 file changed, 53 insertions(+) diff --git a/gnu/packages/bioconductor.scm b/gnu/packages/bioconductor.scm index 7498c3a767..118f218f4b 100644 --- a/gnu/packages/bioconductor.scm +++ b/gnu/packages/bioconductor.scm @@ -2598,6 +2598,59 @@ (define-public r-alpine data.") (license license:gpl2+))) +(define-public r-alpsnmr + (package + (name "r-alpsnmr") + (version "4.0.2") + (source (origin + (method url-fetch) + (uri (bioconductor-uri "AlpsNMR" version)) + (sha256 + (base32 + "1y4qqc6l8flv5ns4qwzjwmcykm6zcm4jg097mn8xyp7mnxymy7pl")))) + (properties `((upstream-name . "AlpsNMR"))) + (build-system r-build-system) + (propagated-inputs + (list r-baseline + r-biocparallel + r-dplyr + r-fs + r-future + r-generics + r-ggplot2 + r-glue + r-htmltools + r-magrittr + r-matrixstats + r-mixomics + r-pcapp + r-purrr + r-readxl + r-reshape2 + r-rlang + r-rmarkdown + r-scales + r-signal + r-speaq + r-stringr + r-tibble + r-tidyr + r-tidyselect + r-vctrs)) + (native-inputs (list r-knitr)) + (home-page "https://sipss.github.io/AlpsNMR/") + (synopsis "Automated spectral processing system for NMR") + (description + "This package reads Bruker @acronym{NMR, Nuclear Magnetic Resonance} data +directories both zipped and unzipped. It provides automated and efficient signal +processing for untargeted NMR metabolomics. It is able to interpolate the samples, +detect outliers, exclude regions, normalize, detect peaks, align the spectra, +integrate peaks, manage metadata and visualize the spectra. After spectra +proccessing, it can apply multivariate analysis on extracted data. Efficient +plotting with 1-D data is also available. Basic reading of 1D ACD/Labs exported +JDX samples is also available.") + (license license:expat))) + (define-public r-altcdfenvs (package (name "r-altcdfenvs")