Comparing version 1.10.0 to 1.10.1
{ | ||
"name": "emdb", | ||
"version": "1.10.0", | ||
"version": "1.10.1", | ||
"description": "Database manager for exact mass query", | ||
@@ -35,3 +35,3 @@ "main": "src/index.js", | ||
"ml-regression-theil-sen": "^2.0.0", | ||
"ms-spectrum": "^1.6.7", | ||
"ms-spectrum": "^1.6.8", | ||
"nucleotide": "^1.2.21", | ||
@@ -45,3 +45,3 @@ "peaks-similarity": "^2.3.1", | ||
}, | ||
"gitHead": "3be5d0d0ad90d31c82be8d0718176dfca3a9e90b" | ||
"gitHead": "5138e416dd2511a68d10a5e0659f43f6241122f6" | ||
} |
@@ -20,3 +20,3 @@ 'use strict'; | ||
precision: 1000, | ||
ranges: 'C0-100 H0-100 O0-100 N0-100 Br0-100', | ||
ranges: 'C0-100 H0-100 O0-100 N0-100 Br0-100 S0', | ||
limit: 100, | ||
@@ -23,0 +23,0 @@ url: 'https://pubchem-beta.cheminfo.org/activesOrNaturals/v1/fromEM', |
@@ -41,5 +41,5 @@ 'use strict'; | ||
let allowMFs; | ||
let allowedEMs; // we prefer to use the exact mass rather than MF | ||
if (ranges) { | ||
allowMFs = []; | ||
allowedEMs = []; | ||
for (let mass of masses) { | ||
@@ -53,3 +53,3 @@ ( | ||
}) | ||
).mfs.forEach((mf) => allowMFs.push(mf.mf)); | ||
).mfs.forEach((mf) => allowedEMs.push(mf.em)); | ||
} | ||
@@ -76,3 +76,3 @@ } | ||
// would it be more efficient to filter later ??? | ||
if (allowMFs && !allowMFs.includes(mf.data.mf)) { | ||
if (allowedEMs && !allowedEMs.includes(mf.data.em)) { | ||
continue; | ||
@@ -79,0 +79,0 @@ } |
1265960
Updatedms-spectrum@^1.6.8