{"action":"created","comment":{"url":"https://api.github.com/repos/MobleyLab/SAMPL6/pulls/comments/167717902","pull_request_review_id":95978288,"id":167717902,"diff_hunk":"@@ -66,6 +66,8 @@ def compute_bootstrap_statistics(samples, stats_funcs, percentile=0.95, n_bootst\n         stats_funcs = [stats_funcs]\n \n     # Compute mean statistics.\n+    #print(\"\\nSamples:\\n\", samples)\n+","path":"physical_properties/pKa/analysis/analysis_of_typeIII_predictions/typeIII_analysis.py","position":5,"original_position":5,"commit_id":"28b83708b8811d757ff49b84ea5f6519e4590741","original_commit_id":"28b83708b8811d757ff49b84ea5f6519e4590741","user":{"login":"bannanc","id":11968541,"avatar_url":"https://avatars3.githubusercontent.com/u/11968541?v=4","gravatar_id":"","url":"https://api.github.com/users/bannanc","html_url":"https://github.com/bannanc","followers_url":"https://api.github.com/users/bannanc/followers","following_url":"https://api.github.com/users/bannanc/following{/other_user}","gists_url":"https://api.github.com/users/bannanc/gists{/gist_id}","starred_url":"https://api.github.com/users/bannanc/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/bannanc/subscriptions","organizations_url":"https://api.github.com/users/bannanc/orgs","repos_url":"https://api.github.com/users/bannanc/repos","events_url":"https://api.github.com/users/bannanc/events{/privacy}","received_events_url":"https://api.github.com/users/bannanc/received_events","type":"User","site_admin":false},"body":"@MehtapIsik Is there a reason to have these print statements in the code, but commented out. I would say you should either include them or delete the lines. ","created_at":"2018-02-12T23:19:08Z","updated_at":"2018-02-12T23:31:17Z","html_url":"https://github.com/MobleyLab/SAMPL6/pull/46#discussion_r167717902","pull_request_url":"https://api.github.com/repos/MobleyLab/SAMPL6/pulls/46","author_association":"MEMBER","_links":{"self":{"href":"https://api.github.com/repos/MobleyLab/SAMPL6/pulls/comments/167717902"},"html":{"href":"https://github.com/MobleyLab/SAMPL6/pull/46#discussion_r167717902"},"pull_request":{"href":"https://api.github.com/repos/MobleyLab/SAMPL6/pulls/46"}}},"pull_request":{"url":"https://api.github.com/repos/MobleyLab/SAMPL6/pulls/46","id":168710033,"html_url":"https://github.com/MobleyLab/SAMPL6/pull/46","diff_url":"https://github.com/MobleyLab/SAMPL6/pull/46.diff","patch_url":"https://github.com/MobleyLab/SAMPL6/pull/46.patch","issue_url":"https://api.github.com/repos/MobleyLab/SAMPL6/issues/46","number":46,"state":"open","locked":false,"title":"Correct pred:exp pKa pairining error in type III pKa analysis.","user":{"login":"MehtapIsik","id":8997658,"avatar_url":"https://avatars2.githubusercontent.com/u/8997658?v=4","gravatar_id":"","url":"https://api.github.com/users/MehtapIsik","html_url":"https://github.com/MehtapIsik","followers_url":"https://api.github.com/users/MehtapIsik/followers","following_url":"https://api.github.com/users/MehtapIsik/following{/other_user}","gists_url":"https://api.github.com/users/MehtapIsik/gists{/gist_id}","starred_url":"https://api.github.com/users/MehtapIsik/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/MehtapIsik/subscriptions","organizations_url":"https://api.github.com/users/MehtapIsik/orgs","repos_url":"https://api.github.com/users/MehtapIsik/repos","events_url":"https://api.github.com/users/MehtapIsik/events{/privacy}","received_events_url":"https://api.github.com/users/MehtapIsik/received_events","type":"User","site_admin":false},"body":"There was an error in analysis script that caused mispairing of some experimental and predicted pKas, which caused higher than expected RMSE values. Analysis script is now fixed and figures updated.\r\n\r\n@bannanc @davidlmobley @jchodera Could you please 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