README.md updated

novak-jiri · Jun 11, 2020 · 41ac7a4 · 41ac7a4
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@@ -56,13 +56,15 @@ A tool for mass spectrometry data analysis.
 https://ms.biomed.cas.cz/cyclobranch/
 
 ## References and More Information
-  * *de novo* peptide sequencing of NRPs
-    * Novak J. et al. CycloBranch: *De Novo* Sequencing of Nonribosomal Peptides from Accurate Product Ion Mass Spectra. *J. Am. Soc. Mass Spectrom.*, 26(10):1780-1786, 2015. DOI: [10.1007/s13361-015-1211-1](https://doi.org/10.1007/s13361-015-1211-1)
-  * dereplication in LC-MS and MSI datasets; *de novo* sequencing of siderophores
-    * Novak J. et al. Batch-processing of Imaging or Liquid-chromatography Mass Spectrometry Datasets and *De Novo* Sequencing of Polyketide Siderophores. *BBA - Proteins Proteom.*, 1865(7):768-775, 2017. DOI: [10.1016/j.bbapap.2016.12.003](https://doi.org/10.1016/j.bbapap.2016.12.003)
-  * fusion of imzML files with histology images
-    * Luptakova D. et al. Non-invasive and Invasive Diagnoses of Aspergillosis in a Rat Model by Mass Spectrometry. *Sci. Rep.*, 7:16523, 2017. DOI: [10.1038/s41598-017-16648-z](https://doi.org/10.1038/s41598-017-16648-z)
-  * isotopic fine structure
-    * Novak J. et al. CycloBranch: An open tool for fine isotope structures in conventional and product ion mass spectra. *J. Mass Spectrom.* 53(11):1097-1103, 2018. DOI: [10.1002/jms.4285](https://doi.org/10.1002/jms.4285)
+  * molecular formula annotations
+    * Novak J. et al. CycloBranch 2: Molecular Formula Annotations Applied to imzML Data Sets in Bimodal Fusion and LC-MS Data Files. *Anal. Chem.*, 92(10):6844–6849, 2020. DOI: [10.1021/acs.analchem.0c00170](https://doi.org/10.1021/acs.analchem.0c00170) 
   * configuration of the tool for different use cases
     * Pluhacek T. et al. Analysis of Microbial Siderophores by Mass Spectrometry. In Sanjoy K. Bhattacharya (ed.), *Metabolomics: Methods and Protocols*, Methods in Molecular Biology, 1996:131-153, Springer, 2019. DOI: [10.1007/978-1-4939-9488-5_12](https://doi.org/10.1007/978-1-4939-9488-5_12)
+  * isotopic fine structure
+    * Novak J. et al. CycloBranch: An open tool for fine isotope structures in conventional and product ion mass spectra. *J. Mass Spectrom.* 53(11):1097-1103, 2018. DOI: [10.1002/jms.4285](https://doi.org/10.1002/jms.4285)
+  * fusion of imzML files with histology images
+    * Luptakova D. et al. Non-invasive and Invasive Diagnoses of Aspergillosis in a Rat Model by Mass Spectrometry. *Sci. Rep.*, 7:16523, 2017. DOI: [10.1038/s41598-017-16648-z](https://doi.org/10.1038/s41598-017-16648-z)
+  * dereplication in LC-MS and MSI datasets; *de novo* sequencing of siderophores
+    * Novak J. et al. Batch-processing of Imaging or Liquid-chromatography Mass Spectrometry Datasets and *De Novo* Sequencing of Polyketide Siderophores. *BBA - Proteins Proteom.*, 1865(7):768-775, 2017. DOI: [10.1016/j.bbapap.2016.12.003](https://doi.org/10.1016/j.bbapap.2016.12.003)
+  * *de novo* peptide sequencing of NRPs
+    * Novak J. et al. CycloBranch: *De Novo* Sequencing of Nonribosomal Peptides from Accurate Product Ion Mass Spectra. *J. Am. Soc. Mass Spectrom.*, 26(10):1780-1786, 2015. DOI: [10.1007/s13361-015-1211-1](https://link.springer.com/article/10.1007/s13361-015-1211-1)