@zakodium/nmr-types 0.3.0 → 0.3.1

package/dist/nmr-types.d.ts

@@ -340,11 +340,33 @@ export declare interface Integrals {
 }
 
 export declare interface Jcoupling {
+    /**
+     * The value of the coupling in Hz
+     */
     coupling: number;
     atoms?: number[];
     assignment?: string | string[];
     diaIDs?: string[];
+    /**
+     * The spin of the nucleus involved in the coupling
+     * most of the time it is 1/2 (1H, 13C, 15N, etc.)
+     * but typically for [2H] it is 1
+     */
+    spin?: number;
+    /**
+     * With how many other nuclei this coupling is observed
+     */
+    nbCouplings?: number;
+    /**
+     * The multiplicity label associated with the coupling like "d", "t", "q", etc.
+     */
     multiplicity?: string;
+    /**
+     * The length of the coupling path (number of bonds)
+     * for example for a geminal coupling it is 2
+     * This is important when you have 2 couplings with the same diaIDs but different path lengths
+     * like in the case of 1,2-disubstituted benzene (same substitutant)
+     */
     pathLength?: number;
 }
 

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "@zakodium/nmr-types",
-  "version": "0.3.0",
+  "version": "0.3.1",
   "description": "Types related to NMR data processing.",
   "author": "Zakodium Sàrl",
   "license": "CC-BY-NC-SA-4.0",
@@ -38,5 +38,5 @@
   "volta": {
     "extends": "../../../package.json"
   },
-  "gitHead": "9e3ff9aee0df39502b56fe15fab3d8e12d939b32"
+  "gitHead": "b10db9c8821bb100501d3d2373ac16a4eac7b345"
 }