nmr-processing 9.4.2-pre.1684301205 → 9.5.0

package/lib/index.d.ts

@@ -25,6 +25,7 @@ export * from './signal/signalJoinCouplings';
 export * from './utilities/resurrect';
 export * from './utilities/rangeFromSignal';
 export * from './utilities/getFrequency';
+export * from './utilities/normalizeNucleus';
 export * from './xy/xyAutoPeaksPicking';
 export * from './xy/xyAutoRangesPicking';
 export * from './xy/xyPeaksOptimization';

package/lib/index.js

@@ -41,6 +41,7 @@ __exportStar(require("./signal/signalJoinCouplings"), exports);
 __exportStar(require("./utilities/resurrect"), exports);
 __exportStar(require("./utilities/rangeFromSignal"), exports);
 __exportStar(require("./utilities/getFrequency"), exports);
+__exportStar(require("./utilities/normalizeNucleus"), exports);
 __exportStar(require("./xy/xyAutoPeaksPicking"), exports);
 __exportStar(require("./xy/xyAutoRangesPicking"), exports);
 __exportStar(require("./xy/xyPeaksOptimization"), exports);

package/lib/index.js.map

@@ -1 +1 @@
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+{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":";;;;;;;;;;;;;;;;AAAA,qDAAmC;AACnC,yDAAuC;AACvC,+DAA6C;AAE7C,gEAA8C;AAC9C,oDAAkC;AAClC,mDAAiC;AAEjC,6DAA2C;AAC3C,6DAA2C;AAC3C,2DAAyC;AACzC,2DAAyC;AACzC,2DAAyC;AACzC,0DAAwC;AACxC,iEAA+C;AAE/C,gEAA8C;AAC9C,iEAA+C;AAC/C,8DAA4C;AAE5C,uDAAqC;AACrC,sDAAoC;AAEpC,4DAA0C;AAC1C,wDAAsC;AACtC,yDAAuC;AACvC,4DAA0C;AAC1C,yDAAuC;AACvC,+DAA6C;AAE7C,wDAAsC;AACtC,8DAA4C;AAC5C,2DAAyC;AACzC,+DAA6C;AAE7C,0DAAwC;AACxC,2DAAyC;AACzC,2DAAyC;AAEzC,4DAA0C;AAC1C,8DAA4C;AAC5C,wDAAsC;AAEtC,0DAAwC;AACxC,+DAA6C;AAC7C,+DAA6C;AAE7C,6DAA2C;AAC3C,6DAA2C;AAE3C,4DAA0C;AAE1C,mEAAiD;AAEjD,+DAA6C;AAC7C,+DAA6C;AAC7C,gEAA8C;AAC9C,mEAAiD;AACjD,oEAAkD"}

package/lib/multiplicity/checkMultiplet.d.ts

@@ -1 +1,6 @@
+/**
+ * check if the input string corresponds to a multiplet (pattern), it could has a common name, acs or one letter abbreviation.
+ * @param string - pattern name or abbreviation.
+ * @param rejected - list of patterns that should not match with the input pattern. e.g 'massive' as input will return false if rejected = ['m'].
+ */
 export declare function checkMultiplet(string: string, rejected?: string[]): boolean | undefined;

package/lib/multiplicity/checkMultiplet.js

@@ -2,6 +2,11 @@
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.checkMultiplet = void 0;
 const findMultiplet_1 = require("./findMultiplet");
+/**
+ * check if the input string corresponds to a multiplet (pattern), it could has a common name, acs or one letter abbreviation.
+ * @param string - pattern name or abbreviation.
+ * @param rejected - list of patterns that should not match with the input pattern. e.g 'massive' as input will return false if rejected = ['m'].
+ */
 function checkMultiplet(string, rejected = []) {
     const multiplet = (0, findMultiplet_1.findMultiplet)(string);
     return (multiplet &&

package/lib/multiplicity/checkMultiplet.js.map

@@ -1 +1 @@
-{"version":3,"file":"checkMultiplet.js","sourceRoot":"","sources":["../../src/multiplicity/checkMultiplet.ts"],"names":[],"mappings":";;;AAAA,mDAAgD;AAEhD,SAAgB,cAAc,CAAC,MAAc,EAAE,WAAqB,EAAE;IACpE,MAAM,SAAS,GAAG,IAAA,6BAAa,EAAC,MAAM,CAAC,CAAC;IACxC,OAAO,CACL,SAAS;QACT,CAAC,QAAQ,CAAC,QAAQ,CAAC,SAAS,CAAC,KAAK,CAAC;QACnC,CAAC,QAAQ,CAAC,QAAQ,CAAC,SAAS,CAAC,KAAK,CAAC;QACnC,CAAC,SAAS,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,QAAQ,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC,CACzD,CAAC;AACJ,CAAC;AARD,wCAQC"}
+{"version":3,"file":"checkMultiplet.js","sourceRoot":"","sources":["../../src/multiplicity/checkMultiplet.ts"],"names":[],"mappings":";;;AAAA,mDAAgD;AAEhD;;;;GAIG;AAEH,SAAgB,cAAc,CAAC,MAAc,EAAE,WAAqB,EAAE;IACpE,MAAM,SAAS,GAAG,IAAA,6BAAa,EAAC,MAAM,CAAC,CAAC;IACxC,OAAO,CACL,SAAS;QACT,CAAC,QAAQ,CAAC,QAAQ,CAAC,SAAS,CAAC,KAAK,CAAC;QACnC,CAAC,QAAQ,CAAC,QAAQ,CAAC,SAAS,CAAC,KAAK,CAAC;QACnC,CAAC,SAAS,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,QAAQ,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC,CACzD,CAAC;AACJ,CAAC;AARD,wCAQC"}

package/lib/multiplicity/checkMultiplicity.d.ts

@@ -1 +1,6 @@
+/**
+ * check the input string corresponds to a composed pattern like dt or dd. it splits into indivitual patterns and use checkMultiplet function.
+ * @param multiplicity - pattern name or abbreviation.
+ * @param rejected - list of patterns that should not match with any pattern. e.g 'dt' as input will return false if rejected = ['t'].
+ */
 export declare function checkMultiplicity(multiplicity: string, rejected?: string[]): boolean;

package/lib/multiplicity/checkMultiplicity.js

@@ -3,6 +3,11 @@ Object.defineProperty(exports, "__esModule", { value: true });
 exports.checkMultiplicity = void 0;
 const __1 = require("..");
 const checkMultiplet_1 = require("./checkMultiplet");
+/**
+ * check the input string corresponds to a composed pattern like dt or dd. it splits into indivitual patterns and use checkMultiplet function.
+ * @param multiplicity - pattern name or abbreviation.
+ * @param rejected - list of patterns that should not match with any pattern. e.g 'dt' as input will return false if rejected = ['t'].
+ */
 function checkMultiplicity(multiplicity, rejected = []) {
     // options to determine whether a massive (m), for example, should be considered as rejected multiplicity
     if (multiplicity === undefined || multiplicity.length === 0) {

package/lib/multiplicity/checkMultiplicity.js.map

@@ -1 +1 @@
-{"version":3,"file":"checkMultiplicity.js","sourceRoot":"","sources":["../../src/multiplicity/checkMultiplicity.ts"],"names":[],"mappings":";;;AAAA,0BAAmC;AAEnC,qDAAkD;AAElD,SAAgB,iBAAiB,CAC/B,YAAoB,EACpB,WAAqB,EAAE;IAEvB,yGAAyG;IACzG,IAAI,YAAY,KAAK,SAAS,IAAI,YAAY,CAAC,MAAM,KAAK,CAAC,EAAE;QAC3D,OAAO,KAAK,CAAC;KACd;IAED,MAAM,UAAU,GAAG,IAAA,iBAAa,EAAC,YAAY,CAAC,CAAC;IAC/C,MAAM,WAAW,GAAG,UAAU,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC,MAAM,KAAK,YAAY,CAAC,MAAM,CAAC;IAEvE,OAAO,CACL,WAAW;QACX,UAAU,CAAC,KAAK,CAAC,CAAC,UAAU,EAAE,EAAE,CAAC,IAAA,+BAAc,EAAC,UAAU,EAAE,QAAQ,CAAC,CAAC,CACvE,CAAC;AACJ,CAAC;AAhBD,8CAgBC"}
+{"version":3,"file":"checkMultiplicity.js","sourceRoot":"","sources":["../../src/multiplicity/checkMultiplicity.ts"],"names":[],"mappings":";;;AAAA,0BAAmC;AAEnC,qDAAkD;AAElD;;;;GAIG;AAEH,SAAgB,iBAAiB,CAC/B,YAAoB,EACpB,WAAqB,EAAE;IAEvB,yGAAyG;IACzG,IAAI,YAAY,KAAK,SAAS,IAAI,YAAY,CAAC,MAAM,KAAK,CAAC,EAAE;QAC3D,OAAO,KAAK,CAAC;KACd;IAED,MAAM,UAAU,GAAG,IAAA,iBAAa,EAAC,YAAY,CAAC,CAAC;IAC/C,MAAM,WAAW,GAAG,UAAU,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC,MAAM,KAAK,YAAY,CAAC,MAAM,CAAC;IAEvE,OAAO,CACL,WAAW;QACX,UAAU,CAAC,KAAK,CAAC,CAAC,UAAU,EAAE,EAAE,CAAC,IAAA,+BAAc,EAAC,UAAU,EAAE,QAAQ,CAAC,CAAC,CACvE,CAAC;AACJ,CAAC;AAhBD,8CAgBC"}

package/lib/multiplicity/findMultiplet.d.ts

@@ -1 +1,5 @@
+/**
+ * look for a multiplet based on the pattern name or abbreviation.
+ * @param name - pattern name or abbreviation.
+ */
 export declare function findMultiplet(name: string): import("..").MultipletDefinition | undefined;

package/lib/multiplicity/findMultiplet.js

@@ -2,6 +2,10 @@
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.findMultiplet = void 0;
 const __1 = require("..");
+/**
+ * look for a multiplet based on the pattern name or abbreviation.
+ * @param name - pattern name or abbreviation.
+ */
 function findMultiplet(name) {
     return __1.MultiplicityPatterns.find((multiplet) => {
         const { label, value, names } = multiplet;

package/lib/multiplicity/findMultiplet.js.map

@@ -1 +1 @@
-{"version":3,"file":"findMultiplet.js","sourceRoot":"","sources":["../../src/multiplicity/findMultiplet.ts"],"names":[],"mappings":";;;AAAA,0BAA0C;AAE1C,SAAgB,aAAa,CAAC,IAAY;IACxC,OAAO,wBAAoB,CAAC,IAAI,CAAC,CAAC,SAAS,EAAE,EAAE;QAC7C,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,GAAG,SAAS,CAAC;QAC1C,OAAO,CAAC,KAAK,EAAE,KAAK,EAAE,GAAG,KAAK,CAAC,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC;IACjD,CAAC,CAAC,CAAC;AACL,CAAC;AALD,sCAKC"}
+{"version":3,"file":"findMultiplet.js","sourceRoot":"","sources":["../../src/multiplicity/findMultiplet.ts"],"names":[],"mappings":";;;AAAA,0BAA0C;AAE1C;;;GAGG;AAEH,SAAgB,aAAa,CAAC,IAAY;IACxC,OAAO,wBAAoB,CAAC,IAAI,CAAC,CAAC,SAAS,EAAE,EAAE;QAC7C,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,GAAG,SAAS,CAAC;QAC1C,OAAO,CAAC,KAAK,EAAE,KAAK,EAAE,GAAG,KAAK,CAAC,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC;IACjD,CAAC,CAAC,CAAC;AACL,CAAC;AALD,sCAKC"}

package/lib/multiplicity/joinPatterns.d.ts

@@ -1,3 +1,13 @@
-export declare function joinPatterns(patterns: string[], options?: {
+/**
+ * join a list of pattern assuming that the coupling constant is the same. e.g ['d', 'd'] will returns 't'.
+ * @param patterns - list of patterns name or abbreviations.
+ * @returns
+ */
+export interface JoinPatternsOptions {
+    /**
+     * if true, the pattern returned will follow the ACS guide line.
+     * @default false
+     */
     acsFormat?: boolean;
-}): string;
+}
+export declare function joinPatterns(patterns: string[], options?: JoinPatternsOptions): string;

package/lib/multiplicity/joinPatterns.js.map

@@ -1 +1 @@
-{"version":3,"file":"joinPatterns.js","sourceRoot":"","sources":["../../src/multiplicity/joinPatterns.ts"],"names":[],"mappings":";;;AAAA,oEAGuC;AACvC,gEAA6D;AAE7D,SAAgB,YAAY,CAC1B,QAAkB,EAClB,OAAiC;IAEjC,MAAM,GAAG,GAAG,QAAQ,CAAC,MAAM,CAAC,CAAC,GAAG,EAAE,OAAO,EAAE,EAAE;QAC3C,IAAI,KAAK,CAAC,+BAAc,CAAC,OAAO,CAAC,CAAC,EAAE;YAClC,MAAM,IAAI,KAAK,CACb,WAAW,OAAO,cAAc,MAAM,CAAC,IAAI,CAAC,+BAAc,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,CACxE,CAAC;SACH;QACD,OAAO,GAAG,GAAG,+BAAc,CAAC,OAAO,CAAC,CAAC;IACvC,CAAC,EAAE,CAAC,CAAC,CAAC;IAEN,IAAI,CAAC,mCAAgB,CAAC,GAAG,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;KACrD;IAED,OAAO,CAAA,OAAO,aAAP,OAAO,uBAAP,OAAO,CAAE,SAAS,EAAC,CAAC,CAAC,sCAAmB,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,mCAAgB,CAAC,GAAG,CAAC,CAAC;AAC/E,CAAC;AAlBD,oCAkBC"}
+{"version":3,"file":"joinPatterns.js","sourceRoot":"","sources":["../../src/multiplicity/joinPatterns.ts"],"names":[],"mappings":";;;AAAA,oEAGuC;AACvC,gEAA6D;AAgB7D,SAAgB,YAAY,CAC1B,QAAkB,EAClB,OAA6B;IAE7B,MAAM,GAAG,GAAG,QAAQ,CAAC,MAAM,CAAC,CAAC,GAAG,EAAE,OAAO,EAAE,EAAE;QAC3C,IAAI,KAAK,CAAC,+BAAc,CAAC,OAAO,CAAC,CAAC,EAAE;YAClC,MAAM,IAAI,KAAK,CACb,WAAW,OAAO,cAAc,MAAM,CAAC,IAAI,CAAC,+BAAc,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,CACxE,CAAC;SACH;QACD,OAAO,GAAG,GAAG,+BAAc,CAAC,OAAO,CAAC,CAAC;IACvC,CAAC,EAAE,CAAC,CAAC,CAAC;IAEN,IAAI,CAAC,mCAAgB,CAAC,GAAG,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;KACrD;IAED,OAAO,CAAA,OAAO,aAAP,OAAO,uBAAP,OAAO,CAAE,SAAS,EAAC,CAAC,CAAC,sCAAmB,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,mCAAgB,CAAC,GAAG,CAAC,CAAC;AAC/E,CAAC;AAlBD,oCAkBC"}

package/lib/multiplicity/splitPatterns.d.ts

@@ -1 +1,6 @@
+/**
+ * split a composed pattern like dt or ddt into ['d','t'] and ['d','d','t']
+ * @param multiplet - pattern or abbreviation.
+ * @returns
+ */
 export declare function splitPatterns(multiplet: string): string[];

package/lib/multiplicity/splitPatterns.js

@@ -7,6 +7,11 @@ for (const { label, value, names } of MultiplicityPatterns_1.MultiplicityPattern
     possiblePatterns.push(label, value, ...names);
 }
 possiblePatterns = possiblePatterns.sort((a, b) => b.length - a.length);
+/**
+ * split a composed pattern like dt or ddt into ['d','t'] and ['d','d','t']
+ * @param multiplet - pattern or abbreviation.
+ * @returns
+ */
 function splitPatterns(multiplet) {
     if (/^\s*$/.exec(multiplet))
         return [];

package/lib/multiplicity/splitPatterns.js.map

@@ -1 +1 @@
-{"version":3,"file":"splitPatterns.js","sourceRoot":"","sources":["../../src/multiplicity/splitPatterns.ts"],"names":[],"mappings":";;;AAAA,4EAAyE;AAEzE,IAAI,gBAAgB,GAAa,EAAE,CAAC;AACpC,KAAK,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,IAAI,2CAAoB,EAAE;IAC1D,gBAAgB,CAAC,IAAI,CAAC,KAAK,EAAE,KAAK,EAAE,GAAG,KAAK,CAAC,CAAC;CAC/C;AACD,gBAAgB,GAAG,gBAAgB,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,MAAM,CAAC,CAAC;AAExE,SAAgB,aAAa,CAAC,SAAiB;IAC7C,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,CAAC;QAAE,OAAO,EAAE,CAAC;IACvC,MAAM,MAAM,GAAG,IAAI,MAAM,CAAC,gBAAgB,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,GAAG,CAAC,CAAC;IAC3D,IAAI,MAAM,GAAG,SAAS,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;IACrC,IAAI,MAAM;QAAE,OAAO,MAAM,CAAC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,CAAC,CAAC;IACvD,OAAO,CAAC,SAAS,CAAC,CAAC;AACrB,CAAC;AAND,sCAMC"}
+{"version":3,"file":"splitPatterns.js","sourceRoot":"","sources":["../../src/multiplicity/splitPatterns.ts"],"names":[],"mappings":";;;AAAA,4EAAyE;AAEzE,IAAI,gBAAgB,GAAa,EAAE,CAAC;AACpC,KAAK,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,IAAI,2CAAoB,EAAE;IAC1D,gBAAgB,CAAC,IAAI,CAAC,KAAK,EAAE,KAAK,EAAE,GAAG,KAAK,CAAC,CAAC;CAC/C;AACD,gBAAgB,GAAG,gBAAgB,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,MAAM,CAAC,CAAC;AAExE;;;;GAIG;AAEH,SAAgB,aAAa,CAAC,SAAiB;IAC7C,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,CAAC;QAAE,OAAO,EAAE,CAAC;IACvC,MAAM,MAAM,GAAG,IAAI,MAAM,CAAC,gBAAgB,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,GAAG,CAAC,CAAC;IAC3D,IAAI,MAAM,GAAG,SAAS,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;IACrC,IAAI,MAAM;QAAE,OAAO,MAAM,CAAC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,CAAC,CAAC;IACvD,OAAO,CAAC,SAAS,CAAC,CAAC;AACrB,CAAC;AAND,sCAMC"}

package/lib/multiplicity/translateMultiplet.d.ts

@@ -1 +1,6 @@
+/**
+ * convert from pattern name to only one letter abbreviation or any supported abbreviation to pattern name.
+ * @param name - pattern name or abbreviation.
+ * @returns
+ */
 export declare function translateMultiplet(name: string): string;

package/lib/multiplicity/translateMultiplet.js

@@ -2,6 +2,11 @@
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.translateMultiplet = void 0;
 const findMultiplet_1 = require("./findMultiplet");
+/**
+ * convert from pattern name to only one letter abbreviation or any supported abbreviation to pattern name.
+ * @param name - pattern name or abbreviation.
+ * @returns
+ */
 function translateMultiplet(name) {
     const multiplet = (0, findMultiplet_1.findMultiplet)(name);
     if (!multiplet) {

package/lib/multiplicity/translateMultiplet.js.map

@@ -1 +1 @@
-{"version":3,"file":"translateMultiplet.js","sourceRoot":"","sources":["../../src/multiplicity/translateMultiplet.ts"],"names":[],"mappings":";;;AAAA,mDAAgD;AAEhD,SAAgB,kBAAkB,CAAC,IAAY;IAC7C,MAAM,SAAS,GAAG,IAAA,6BAAa,EAAC,IAAI,CAAC,CAAC;IAEtC,IAAI,CAAC,SAAS,EAAE;QACd,MAAM,IAAI,KAAK,CAAC,aAAa,IAAI,mBAAmB,CAAC,CAAC;KACvD;IACD,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,GAAG,SAAS,CAAC;IACnC,OAAO,IAAI,KAAK,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC;AACxC,CAAC;AARD,gDAQC"}
+{"version":3,"file":"translateMultiplet.js","sourceRoot":"","sources":["../../src/multiplicity/translateMultiplet.ts"],"names":[],"mappings":";;;AAAA,mDAAgD;AAEhD;;;;GAIG;AAEH,SAAgB,kBAAkB,CAAC,IAAY;IAC7C,MAAM,SAAS,GAAG,IAAA,6BAAa,EAAC,IAAI,CAAC,CAAC;IAEtC,IAAI,CAAC,SAAS,EAAE;QACd,MAAM,IAAI,KAAK,CAAC,aAAa,IAAI,mBAAmB,CAAC,CAAC;KACvD;IACD,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,GAAG,SAAS,CAAC;IACnC,OAAO,IAAI,KAAK,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC;AACxC,CAAC;AARD,gDAQC"}

package/lib/utilities/normalizeNucleus.d.ts

@@ -1 +1,4 @@
-export declare function normilizeNucleus(name: string): string;
+/**
+ * The idea is to convert nucleus name like H1, proton or Fluorine19 to 1H and 19F.
+ */
+export declare function normalizeNucleus(name: string): string;

package/lib/utilities/normalizeNucleus.js

@@ -1,9 +1,12 @@
 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.normilizeNucleus = void 0;
+exports.normalizeNucleus = void 0;
 const gyromagnetic_ratio_1 = require("gyromagnetic-ratio");
 const nucleusMap_1 = require("./nucleusMap");
-function normilizeNucleus(name) {
+/**
+ * The idea is to convert nucleus name like H1, proton or Fluorine19 to 1H and 19F.
+ */
+function normalizeNucleus(name) {
     if (gyromagnetic_ratio_1.gyromagneticRatio[name]) {
         return name;
     }
@@ -18,5 +21,5 @@ function normilizeNucleus(name) {
     }
     return symbol;
 }
-exports.normilizeNucleus = normilizeNucleus;
+exports.normalizeNucleus = normalizeNucleus;
 //# sourceMappingURL=normalizeNucleus.js.map

package/lib/utilities/normalizeNucleus.js.map

@@ -1 +1 @@
-{"version":3,"file":"normalizeNucleus.js","sourceRoot":"","sources":["../../src/utilities/normalizeNucleus.ts"],"names":[],"mappings":";;;AAAA,2DAA+D;AAE/D,6CAA6D;AAE7D,SAAgB,gBAAgB,CAAC,IAAY;IAC3C,IAAI,sCAAiB,CAAC,IAAc,CAAC,EAAE;QACrC,OAAO,IAAI,CAAC;KACb;IAED,MAAM,UAAU,GAAG,IAAI,CAAC,OAAO,CAAC,KAAK,EAAE,EAAE,CAAC,CAAC;IAC3C,MAAM,QAAQ,GAAG,IAAI,CAAC,OAAO,CAAC,SAAS,EAAE,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;IAE3D,MAAM,WAAW,GACf,QAAQ,CAAC,MAAM,GAAG,CAAC;QACjB,CAAC,CAAC,6BAAgB,CAAC,QAAuB,CAAC;QAC3C,CAAC,CAAC,QAAQ,CAAC,WAAW,EAAE,CAAC;IAE7B,MAAM,MAAM,GAAG,GAAG,UAAU,GAAG,WAAW,EAAE,CAAC;IAC7C,IAAI,CAAC,sCAAiB,CAAC,MAAgB,CAAC,EAAE;QACxC,MAAM,IAAI,KAAK,CAAC,WAAW,IAAI,mBAAmB,CAAC,CAAC;KACrD;IAED,OAAO,MAAM,CAAC;AAChB,CAAC;AAnBD,4CAmBC"}
+{"version":3,"file":"normalizeNucleus.js","sourceRoot":"","sources":["../../src/utilities/normalizeNucleus.ts"],"names":[],"mappings":";;;AAAA,2DAA+D;AAE/D,6CAA6D;AAE7D;;GAEG;AAEH,SAAgB,gBAAgB,CAAC,IAAY;IAC3C,IAAI,sCAAiB,CAAC,IAAc,CAAC,EAAE;QACrC,OAAO,IAAI,CAAC;KACb;IAED,MAAM,UAAU,GAAG,IAAI,CAAC,OAAO,CAAC,KAAK,EAAE,EAAE,CAAC,CAAC;IAC3C,MAAM,QAAQ,GAAG,IAAI,CAAC,OAAO,CAAC,SAAS,EAAE,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;IAE3D,MAAM,WAAW,GACf,QAAQ,CAAC,MAAM,GAAG,CAAC;QACjB,CAAC,CAAC,6BAAgB,CAAC,QAAuB,CAAC;QAC3C,CAAC,CAAC,QAAQ,CAAC,WAAW,EAAE,CAAC;IAE7B,MAAM,MAAM,GAAG,GAAG,UAAU,GAAG,WAAW,EAAE,CAAC;IAC7C,IAAI,CAAC,sCAAiB,CAAC,MAAgB,CAAC,EAAE;QACxC,MAAM,IAAI,KAAK,CAAC,WAAW,IAAI,mBAAmB,CAAC,CAAC;KACrD;IAED,OAAO,MAAM,CAAC;AAChB,CAAC;AAnBD,4CAmBC"}

package/lib-esm/index.js

@@ -25,6 +25,7 @@ export * from './signal/signalJoinCouplings';
 export * from './utilities/resurrect';
 export * from './utilities/rangeFromSignal';
 export * from './utilities/getFrequency';
+export * from './utilities/normalizeNucleus';
 export * from './xy/xyAutoPeaksPicking';
 export * from './xy/xyAutoRangesPicking';
 export * from './xy/xyPeaksOptimization';

package/lib-esm/index.js.map

@@ -1 +1 @@
-{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":"AAAA,cAAc,oBAAoB,CAAC;AACnC,cAAc,wBAAwB,CAAC;AACvC,cAAc,8BAA8B,CAAC;AAE7C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,mBAAmB,CAAC;AAClC,cAAc,kBAAkB,CAAC;AAEjC,cAAc,4BAA4B,CAAC;AAC3C,cAAc,4BAA4B,CAAC;AAC3C,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AACzC,cAAc,yBAAyB,CAAC;AACxC,cAAc,gCAAgC,CAAC;AAE/C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,gCAAgC,CAAC;AAC/C,cAAc,6BAA6B,CAAC;AAE5C,cAAc,sBAAsB,CAAC;AACrC,cAAc,qBAAqB,CAAC;AAEpC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,uBAAuB,CAAC;AACtC,cAAc,wBAAwB,CAAC;AACvC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,wBAAwB,CAAC;AACvC,cAAc,8BAA8B,CAAC;AAE7C,cAAc,uBAAuB,CAAC;AACtC,cAAc,6BAA6B,CAAC;AAC5C,cAAc,0BAA0B,CAAC;AAEzC,cAAc,yBAAyB,CAAC;AACxC,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AAEzC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,6BAA6B,CAAC;AAC5C,cAAc,uBAAuB,CAAC;AAEtC,cAAc,yBAAyB,CAAC;AACxC,cAAc,8BAA8B,CAAC;AAC7C,cAAc,8BAA8B,CAAC;AAE7C,cAAc,4BAA4B,CAAC;AAC3C,cAAc,4BAA4B,CAAC;AAE3C,cAAc,2BAA2B,CAAC;AAE1C,cAAc,kCAAkC,CAAC;AAEjD,cAAc,8BAA8B,CAAC;AAC7C,cAAc,8BAA8B,CAAC;AAC7C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,kCAAkC,CAAC;AACjD,cAAc,mCAAmC,CAAC"}
+{"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":"AAAA,cAAc,oBAAoB,CAAC;AACnC,cAAc,wBAAwB,CAAC;AACvC,cAAc,8BAA8B,CAAC;AAE7C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,mBAAmB,CAAC;AAClC,cAAc,kBAAkB,CAAC;AAEjC,cAAc,4BAA4B,CAAC;AAC3C,cAAc,4BAA4B,CAAC;AAC3C,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AACzC,cAAc,yBAAyB,CAAC;AACxC,cAAc,gCAAgC,CAAC;AAE/C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,gCAAgC,CAAC;AAC/C,cAAc,6BAA6B,CAAC;AAE5C,cAAc,sBAAsB,CAAC;AACrC,cAAc,qBAAqB,CAAC;AAEpC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,uBAAuB,CAAC;AACtC,cAAc,wBAAwB,CAAC;AACvC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,wBAAwB,CAAC;AACvC,cAAc,8BAA8B,CAAC;AAE7C,cAAc,uBAAuB,CAAC;AACtC,cAAc,6BAA6B,CAAC;AAC5C,cAAc,0BAA0B,CAAC;AACzC,cAAc,8BAA8B,CAAC;AAE7C,cAAc,yBAAyB,CAAC;AACxC,cAAc,0BAA0B,CAAC;AACzC,cAAc,0BAA0B,CAAC;AAEzC,cAAc,2BAA2B,CAAC;AAC1C,cAAc,6BAA6B,CAAC;AAC5C,cAAc,uBAAuB,CAAC;AAEtC,cAAc,yBAAyB,CAAC;AACxC,cAAc,8BAA8B,CAAC;AAC7C,cAAc,8BAA8B,CAAC;AAE7C,cAAc,4BAA4B,CAAC;AAC3C,cAAc,4BAA4B,CAAC;AAE3C,cAAc,2BAA2B,CAAC;AAE1C,cAAc,kCAAkC,CAAC;AAEjD,cAAc,8BAA8B,CAAC;AAC7C,cAAc,8BAA8B,CAAC;AAC7C,cAAc,+BAA+B,CAAC;AAC9C,cAAc,kCAAkC,CAAC;AACjD,cAAc,mCAAmC,CAAC"}

package/lib-esm/multiplicity/checkMultiplet.js

@@ -1,4 +1,9 @@
 import { findMultiplet } from './findMultiplet';
+/**
+ * check if the input string corresponds to a multiplet (pattern), it could has a common name, acs or one letter abbreviation.
+ * @param string - pattern name or abbreviation.
+ * @param rejected - list of patterns that should not match with the input pattern. e.g 'massive' as input will return false if rejected = ['m'].
+ */
 export function checkMultiplet(string, rejected = []) {
     const multiplet = findMultiplet(string);
     return (multiplet &&

package/lib-esm/multiplicity/checkMultiplet.js.map

@@ -1 +1 @@
-{"version":3,"file":"checkMultiplet.js","sourceRoot":"","sources":["../../src/multiplicity/checkMultiplet.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,aAAa,EAAE,MAAM,iBAAiB,CAAC;AAEhD,MAAM,UAAU,cAAc,CAAC,MAAc,EAAE,WAAqB,EAAE;IACpE,MAAM,SAAS,GAAG,aAAa,CAAC,MAAM,CAAC,CAAC;IACxC,OAAO,CACL,SAAS;QACT,CAAC,QAAQ,CAAC,QAAQ,CAAC,SAAS,CAAC,KAAK,CAAC;QACnC,CAAC,QAAQ,CAAC,QAAQ,CAAC,SAAS,CAAC,KAAK,CAAC;QACnC,CAAC,SAAS,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,QAAQ,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC,CACzD,CAAC;AACJ,CAAC"}
+{"version":3,"file":"checkMultiplet.js","sourceRoot":"","sources":["../../src/multiplicity/checkMultiplet.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,aAAa,EAAE,MAAM,iBAAiB,CAAC;AAEhD;;;;GAIG;AAEH,MAAM,UAAU,cAAc,CAAC,MAAc,EAAE,WAAqB,EAAE;IACpE,MAAM,SAAS,GAAG,aAAa,CAAC,MAAM,CAAC,CAAC;IACxC,OAAO,CACL,SAAS;QACT,CAAC,QAAQ,CAAC,QAAQ,CAAC,SAAS,CAAC,KAAK,CAAC;QACnC,CAAC,QAAQ,CAAC,QAAQ,CAAC,SAAS,CAAC,KAAK,CAAC;QACnC,CAAC,SAAS,CAAC,KAAK,CAAC,IAAI,CAAC,CAAC,IAAI,EAAE,EAAE,CAAC,QAAQ,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC,CACzD,CAAC;AACJ,CAAC"}

package/lib-esm/multiplicity/checkMultiplicity.js

@@ -1,5 +1,10 @@
 import { splitPatterns } from '..';
 import { checkMultiplet } from './checkMultiplet';
+/**
+ * check the input string corresponds to a composed pattern like dt or dd. it splits into indivitual patterns and use checkMultiplet function.
+ * @param multiplicity - pattern name or abbreviation.
+ * @param rejected - list of patterns that should not match with any pattern. e.g 'dt' as input will return false if rejected = ['t'].
+ */
 export function checkMultiplicity(multiplicity, rejected = []) {
     // options to determine whether a massive (m), for example, should be considered as rejected multiplicity
     if (multiplicity === undefined || multiplicity.length === 0) {

package/lib-esm/multiplicity/checkMultiplicity.js.map

@@ -1 +1 @@
-{"version":3,"file":"checkMultiplicity.js","sourceRoot":"","sources":["../../src/multiplicity/checkMultiplicity.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,aAAa,EAAE,MAAM,IAAI,CAAC;AAEnC,OAAO,EAAE,cAAc,EAAE,MAAM,kBAAkB,CAAC;AAElD,MAAM,UAAU,iBAAiB,CAC/B,YAAoB,EACpB,WAAqB,EAAE;IAEvB,yGAAyG;IACzG,IAAI,YAAY,KAAK,SAAS,IAAI,YAAY,CAAC,MAAM,KAAK,CAAC,EAAE;QAC3D,OAAO,KAAK,CAAC;KACd;IAED,MAAM,UAAU,GAAG,aAAa,CAAC,YAAY,CAAC,CAAC;IAC/C,MAAM,WAAW,GAAG,UAAU,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC,MAAM,KAAK,YAAY,CAAC,MAAM,CAAC;IAEvE,OAAO,CACL,WAAW;QACX,UAAU,CAAC,KAAK,CAAC,CAAC,UAAU,EAAE,EAAE,CAAC,cAAc,CAAC,UAAU,EAAE,QAAQ,CAAC,CAAC,CACvE,CAAC;AACJ,CAAC"}
+{"version":3,"file":"checkMultiplicity.js","sourceRoot":"","sources":["../../src/multiplicity/checkMultiplicity.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,aAAa,EAAE,MAAM,IAAI,CAAC;AAEnC,OAAO,EAAE,cAAc,EAAE,MAAM,kBAAkB,CAAC;AAElD;;;;GAIG;AAEH,MAAM,UAAU,iBAAiB,CAC/B,YAAoB,EACpB,WAAqB,EAAE;IAEvB,yGAAyG;IACzG,IAAI,YAAY,KAAK,SAAS,IAAI,YAAY,CAAC,MAAM,KAAK,CAAC,EAAE;QAC3D,OAAO,KAAK,CAAC;KACd;IAED,MAAM,UAAU,GAAG,aAAa,CAAC,YAAY,CAAC,CAAC;IAC/C,MAAM,WAAW,GAAG,UAAU,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC,MAAM,KAAK,YAAY,CAAC,MAAM,CAAC;IAEvE,OAAO,CACL,WAAW;QACX,UAAU,CAAC,KAAK,CAAC,CAAC,UAAU,EAAE,EAAE,CAAC,cAAc,CAAC,UAAU,EAAE,QAAQ,CAAC,CAAC,CACvE,CAAC;AACJ,CAAC"}

package/lib-esm/multiplicity/findMultiplet.js

@@ -1,4 +1,8 @@
 import { MultiplicityPatterns } from '..';
+/**
+ * look for a multiplet based on the pattern name or abbreviation.
+ * @param name - pattern name or abbreviation.
+ */
 export function findMultiplet(name) {
     return MultiplicityPatterns.find((multiplet) => {
         const { label, value, names } = multiplet;

package/lib-esm/multiplicity/findMultiplet.js.map

@@ -1 +1 @@
-{"version":3,"file":"findMultiplet.js","sourceRoot":"","sources":["../../src/multiplicity/findMultiplet.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,oBAAoB,EAAE,MAAM,IAAI,CAAC;AAE1C,MAAM,UAAU,aAAa,CAAC,IAAY;IACxC,OAAO,oBAAoB,CAAC,IAAI,CAAC,CAAC,SAAS,EAAE,EAAE;QAC7C,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,GAAG,SAAS,CAAC;QAC1C,OAAO,CAAC,KAAK,EAAE,KAAK,EAAE,GAAG,KAAK,CAAC,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC;IACjD,CAAC,CAAC,CAAC;AACL,CAAC"}
+{"version":3,"file":"findMultiplet.js","sourceRoot":"","sources":["../../src/multiplicity/findMultiplet.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,oBAAoB,EAAE,MAAM,IAAI,CAAC;AAE1C;;;GAGG;AAEH,MAAM,UAAU,aAAa,CAAC,IAAY;IACxC,OAAO,oBAAoB,CAAC,IAAI,CAAC,CAAC,SAAS,EAAE,EAAE;QAC7C,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,GAAG,SAAS,CAAC;QAC1C,OAAO,CAAC,KAAK,EAAE,KAAK,EAAE,GAAG,KAAK,CAAC,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC;IACjD,CAAC,CAAC,CAAC;AACL,CAAC"}

package/lib-esm/multiplicity/joinPatterns.js.map

@@ -1 +1 @@
-{"version":3,"file":"joinPatterns.js","sourceRoot":"","sources":["../../src/multiplicity/joinPatterns.ts"],"names":[],"mappings":"AAAA,OAAO,EACL,mBAAmB,EACnB,gBAAgB,GACjB,MAAM,+BAA+B,CAAC;AACvC,OAAO,EAAE,cAAc,EAAE,MAAM,6BAA6B,CAAC;AAE7D,MAAM,UAAU,YAAY,CAC1B,QAAkB,EAClB,OAAiC;IAEjC,MAAM,GAAG,GAAG,QAAQ,CAAC,MAAM,CAAC,CAAC,GAAG,EAAE,OAAO,EAAE,EAAE;QAC3C,IAAI,KAAK,CAAC,cAAc,CAAC,OAAO,CAAC,CAAC,EAAE;YAClC,MAAM,IAAI,KAAK,CACb,WAAW,OAAO,cAAc,MAAM,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,CACxE,CAAC;SACH;QACD,OAAO,GAAG,GAAG,cAAc,CAAC,OAAO,CAAC,CAAC;IACvC,CAAC,EAAE,CAAC,CAAC,CAAC;IAEN,IAAI,CAAC,gBAAgB,CAAC,GAAG,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;KACrD;IAED,OAAO,CAAA,OAAO,aAAP,OAAO,uBAAP,OAAO,CAAE,SAAS,EAAC,CAAC,CAAC,mBAAmB,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,gBAAgB,CAAC,GAAG,CAAC,CAAC;AAC/E,CAAC"}
+{"version":3,"file":"joinPatterns.js","sourceRoot":"","sources":["../../src/multiplicity/joinPatterns.ts"],"names":[],"mappings":"AAAA,OAAO,EACL,mBAAmB,EACnB,gBAAgB,GACjB,MAAM,+BAA+B,CAAC;AACvC,OAAO,EAAE,cAAc,EAAE,MAAM,6BAA6B,CAAC;AAgB7D,MAAM,UAAU,YAAY,CAC1B,QAAkB,EAClB,OAA6B;IAE7B,MAAM,GAAG,GAAG,QAAQ,CAAC,MAAM,CAAC,CAAC,GAAG,EAAE,OAAO,EAAE,EAAE;QAC3C,IAAI,KAAK,CAAC,cAAc,CAAC,OAAO,CAAC,CAAC,EAAE;YAClC,MAAM,IAAI,KAAK,CACb,WAAW,OAAO,cAAc,MAAM,CAAC,IAAI,CAAC,cAAc,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,CACxE,CAAC;SACH;QACD,OAAO,GAAG,GAAG,cAAc,CAAC,OAAO,CAAC,CAAC;IACvC,CAAC,EAAE,CAAC,CAAC,CAAC;IAEN,IAAI,CAAC,gBAAgB,CAAC,GAAG,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;KACrD;IAED,OAAO,CAAA,OAAO,aAAP,OAAO,uBAAP,OAAO,CAAE,SAAS,EAAC,CAAC,CAAC,mBAAmB,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,gBAAgB,CAAC,GAAG,CAAC,CAAC;AAC/E,CAAC"}

package/lib-esm/multiplicity/splitPatterns.js

@@ -4,6 +4,11 @@ for (const { label, value, names } of MultiplicityPatterns) {
     possiblePatterns.push(label, value, ...names);
 }
 possiblePatterns = possiblePatterns.sort((a, b) => b.length - a.length);
+/**
+ * split a composed pattern like dt or ddt into ['d','t'] and ['d','d','t']
+ * @param multiplet - pattern or abbreviation.
+ * @returns
+ */
 export function splitPatterns(multiplet) {
     if (/^\s*$/.exec(multiplet))
         return [];

package/lib-esm/multiplicity/splitPatterns.js.map

@@ -1 +1 @@
-{"version":3,"file":"splitPatterns.js","sourceRoot":"","sources":["../../src/multiplicity/splitPatterns.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,oBAAoB,EAAE,MAAM,mCAAmC,CAAC;AAEzE,IAAI,gBAAgB,GAAa,EAAE,CAAC;AACpC,KAAK,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,IAAI,oBAAoB,EAAE;IAC1D,gBAAgB,CAAC,IAAI,CAAC,KAAK,EAAE,KAAK,EAAE,GAAG,KAAK,CAAC,CAAC;CAC/C;AACD,gBAAgB,GAAG,gBAAgB,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,MAAM,CAAC,CAAC;AAExE,MAAM,UAAU,aAAa,CAAC,SAAiB;IAC7C,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,CAAC;QAAE,OAAO,EAAE,CAAC;IACvC,MAAM,MAAM,GAAG,IAAI,MAAM,CAAC,gBAAgB,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,GAAG,CAAC,CAAC;IAC3D,IAAI,MAAM,GAAG,SAAS,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;IACrC,IAAI,MAAM;QAAE,OAAO,MAAM,CAAC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,CAAC,CAAC;IACvD,OAAO,CAAC,SAAS,CAAC,CAAC;AACrB,CAAC"}
+{"version":3,"file":"splitPatterns.js","sourceRoot":"","sources":["../../src/multiplicity/splitPatterns.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,oBAAoB,EAAE,MAAM,mCAAmC,CAAC;AAEzE,IAAI,gBAAgB,GAAa,EAAE,CAAC;AACpC,KAAK,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,KAAK,EAAE,IAAI,oBAAoB,EAAE;IAC1D,gBAAgB,CAAC,IAAI,CAAC,KAAK,EAAE,KAAK,EAAE,GAAG,KAAK,CAAC,CAAC;CAC/C;AACD,gBAAgB,GAAG,gBAAgB,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,MAAM,CAAC,CAAC;AAExE;;;;GAIG;AAEH,MAAM,UAAU,aAAa,CAAC,SAAiB;IAC7C,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,CAAC;QAAE,OAAO,EAAE,CAAC;IACvC,MAAM,MAAM,GAAG,IAAI,MAAM,CAAC,gBAAgB,CAAC,IAAI,CAAC,GAAG,CAAC,EAAE,GAAG,CAAC,CAAC;IAC3D,IAAI,MAAM,GAAG,SAAS,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;IACrC,IAAI,MAAM;QAAE,OAAO,MAAM,CAAC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,CAAC,CAAC;IACvD,OAAO,CAAC,SAAS,CAAC,CAAC;AACrB,CAAC"}

package/lib-esm/multiplicity/translateMultiplet.js

@@ -1,4 +1,9 @@
 import { findMultiplet } from './findMultiplet';
+/**
+ * convert from pattern name to only one letter abbreviation or any supported abbreviation to pattern name.
+ * @param name - pattern name or abbreviation.
+ * @returns
+ */
 export function translateMultiplet(name) {
     const multiplet = findMultiplet(name);
     if (!multiplet) {

package/lib-esm/multiplicity/translateMultiplet.js.map

@@ -1 +1 @@
-{"version":3,"file":"translateMultiplet.js","sourceRoot":"","sources":["../../src/multiplicity/translateMultiplet.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,aAAa,EAAE,MAAM,iBAAiB,CAAC;AAEhD,MAAM,UAAU,kBAAkB,CAAC,IAAY;IAC7C,MAAM,SAAS,GAAG,aAAa,CAAC,IAAI,CAAC,CAAC;IAEtC,IAAI,CAAC,SAAS,EAAE;QACd,MAAM,IAAI,KAAK,CAAC,aAAa,IAAI,mBAAmB,CAAC,CAAC;KACvD;IACD,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,GAAG,SAAS,CAAC;IACnC,OAAO,IAAI,KAAK,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC;AACxC,CAAC"}
+{"version":3,"file":"translateMultiplet.js","sourceRoot":"","sources":["../../src/multiplicity/translateMultiplet.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,aAAa,EAAE,MAAM,iBAAiB,CAAC;AAEhD;;;;GAIG;AAEH,MAAM,UAAU,kBAAkB,CAAC,IAAY;IAC7C,MAAM,SAAS,GAAG,aAAa,CAAC,IAAI,CAAC,CAAC;IAEtC,IAAI,CAAC,SAAS,EAAE;QACd,MAAM,IAAI,KAAK,CAAC,aAAa,IAAI,mBAAmB,CAAC,CAAC;KACvD;IACD,MAAM,EAAE,KAAK,EAAE,KAAK,EAAE,GAAG,SAAS,CAAC;IACnC,OAAO,IAAI,KAAK,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,CAAC,KAAK,CAAC;AACxC,CAAC"}

package/lib-esm/utilities/normalizeNucleus.js

@@ -1,6 +1,9 @@
 import { gyromagneticRatio } from 'gyromagnetic-ratio';
 import { nucleusSymbolMap } from './nucleusMap';
-export function normilizeNucleus(name) {
+/**
+ * The idea is to convert nucleus name like H1, proton or Fluorine19 to 1H and 19F.
+ */
+export function normalizeNucleus(name) {
     if (gyromagneticRatio[name]) {
         return name;
     }

package/lib-esm/utilities/normalizeNucleus.js.map

@@ -1 +1 @@
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+{"version":3,"file":"normalizeNucleus.js","sourceRoot":"","sources":["../../src/utilities/normalizeNucleus.ts"],"names":[],"mappings":"AAAA,OAAO,EAAU,iBAAiB,EAAE,MAAM,oBAAoB,CAAC;AAE/D,OAAO,EAAe,gBAAgB,EAAE,MAAM,cAAc,CAAC;AAE7D;;GAEG;AAEH,MAAM,UAAU,gBAAgB,CAAC,IAAY;IAC3C,IAAI,iBAAiB,CAAC,IAAc,CAAC,EAAE;QACrC,OAAO,IAAI,CAAC;KACb;IAED,MAAM,UAAU,GAAG,IAAI,CAAC,OAAO,CAAC,KAAK,EAAE,EAAE,CAAC,CAAC;IAC3C,MAAM,QAAQ,GAAG,IAAI,CAAC,OAAO,CAAC,SAAS,EAAE,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;IAE3D,MAAM,WAAW,GACf,QAAQ,CAAC,MAAM,GAAG,CAAC;QACjB,CAAC,CAAC,gBAAgB,CAAC,QAAuB,CAAC;QAC3C,CAAC,CAAC,QAAQ,CAAC,WAAW,EAAE,CAAC;IAE7B,MAAM,MAAM,GAAG,GAAG,UAAU,GAAG,WAAW,EAAE,CAAC;IAC7C,IAAI,CAAC,iBAAiB,CAAC,MAAgB,CAAC,EAAE;QACxC,MAAM,IAAI,KAAK,CAAC,WAAW,IAAI,mBAAmB,CAAC,CAAC;KACrD;IAED,OAAO,MAAM,CAAC;AAChB,CAAC"}

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "nmr-processing",
-  "version": "9.4.2-pre.1684301205",
+  "version": "9.5.0",
   "description": "Pure functions allowing to process NMR spectra.",
   "main": "./lib/index.js",
   "module": "./lib-esm/index.js",

package/src/index.ts

@@ -31,6 +31,7 @@ export * from './signal/signalJoinCouplings';
 export * from './utilities/resurrect';
 export * from './utilities/rangeFromSignal';
 export * from './utilities/getFrequency';
+export * from './utilities/normalizeNucleus';
 
 export * from './xy/xyAutoPeaksPicking';
 export * from './xy/xyAutoRangesPicking';

package/src/multiplicity/checkMultiplet.ts

@@ -1,5 +1,11 @@
 import { findMultiplet } from './findMultiplet';
 
+/**
+ * check if the input string corresponds to a multiplet (pattern), it could has a common name, acs or one letter abbreviation.
+ * @param string - pattern name or abbreviation.
+ * @param rejected - list of patterns that should not match with the input pattern. e.g 'massive' as input will return false if rejected = ['m'].
+ */
+
 export function checkMultiplet(string: string, rejected: string[] = []) {
   const multiplet = findMultiplet(string);
   return (

package/src/multiplicity/checkMultiplicity.ts

@@ -2,6 +2,12 @@ import { splitPatterns } from '..';
 
 import { checkMultiplet } from './checkMultiplet';
 
+/**
+ * check the input string corresponds to a composed pattern like dt or dd. it splits into indivitual patterns and use checkMultiplet function.
+ * @param multiplicity - pattern name or abbreviation.
+ * @param rejected - list of patterns that should not match with any pattern. e.g 'dt' as input will return false if rejected = ['t'].
+ */
+
 export function checkMultiplicity(
   multiplicity: string,
   rejected: string[] = [],

package/src/multiplicity/findMultiplet.ts

@@ -1,5 +1,10 @@
 import { MultiplicityPatterns } from '..';
 
+/**
+ * look for a multiplet based on the pattern name or abbreviation.
+ * @param name - pattern name or abbreviation.
+ */
+
 export function findMultiplet(name: string) {
   return MultiplicityPatterns.find((multiplet) => {
     const { label, value, names } = multiplet;

package/src/multiplicity/joinPatterns.ts

@@ -4,9 +4,23 @@ import {
 } from '../constants/couplingPatterns';
 import { couplingValues } from '../constants/couplingValues';
 
+/**
+ * join a list of pattern assuming that the coupling constant is the same. e.g ['d', 'd'] will returns 't'.
+ * @param patterns - list of patterns name or abbreviations.
+ * @returns
+ */
+
+export interface JoinPatternsOptions {
+  /**
+   * if true, the pattern returned will follow the ACS guide line.
+   * @default false
+   */
+  acsFormat?: boolean;
+}
+
 export function joinPatterns(
   patterns: string[],
-  options?: { acsFormat?: boolean },
+  options?: JoinPatternsOptions,
 ) {
   const sum = patterns.reduce((sum, pattern) => {
     if (isNaN(couplingValues[pattern])) {

package/src/multiplicity/splitPatterns.ts

@@ -6,6 +6,12 @@ for (const { label, value, names } of MultiplicityPatterns) {
 }
 possiblePatterns = possiblePatterns.sort((a, b) => b.length - a.length);
 
+/**
+ * split a composed pattern like dt or ddt into ['d','t'] and ['d','d','t']
+ * @param multiplet - pattern or abbreviation.
+ * @returns
+ */
+
 export function splitPatterns(multiplet: string) {
   if (/^\s*$/.exec(multiplet)) return [];
   const regexp = new RegExp(possiblePatterns.join('|'), 'g');

package/src/multiplicity/translateMultiplet.ts

@@ -1,5 +1,11 @@
 import { findMultiplet } from './findMultiplet';
 
+/**
+ * convert from pattern name to only one letter abbreviation or any supported abbreviation to pattern name.
+ * @param name - pattern name or abbreviation.
+ * @returns
+ */
+
 export function translateMultiplet(name: string) {
   const multiplet = findMultiplet(name);
 

package/src/utilities/normalizeNucleus.ts

@@ -2,7 +2,11 @@ import { Nuclei, gyromagneticRatio } from 'gyromagnetic-ratio';
 
 import { NucleusName, nucleusSymbolMap } from './nucleusMap';
 
-export function normilizeNucleus(name: string) {
+/**
+ * The idea is to convert nucleus name like H1, proton or Fluorine19 to 1H and 19F.
+ */
+
+export function normalizeNucleus(name: string) {
   if (gyromagneticRatio[name as Nuclei]) {
     return name;
   }