nmr-processing 3.3.3 → 3.3.4
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
package/CHANGELOG.md
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# Changelog
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### [3.3.4](https://www.github.com/cheminfo/nmr-processing/compare/v3.3.3...v3.3.4) (2021-10-26)
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### Bug Fixes
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* use NMRPeak1D type ([b6d1b4d](https://www.github.com/cheminfo/nmr-processing/commit/b6d1b4d94f85f349bb88e14a419e77911d2621d1))
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### [3.3.3](https://www.github.com/cheminfo/nmr-processing/compare/v3.3.2...v3.3.3) (2021-10-25)
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{"version":3,"file":"peaksToRanges.js","sourceRoot":"","sources":["../../src/peaks/peaksToRanges.ts"],"names":[],"mappings":";;;;;;
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{"version":3,"file":"peaksToRanges.js","sourceRoot":"","sources":["../../src/peaks/peaksToRanges.ts"],"names":[],"mappings":";;;;;;AACA,iEAAsD;AAOtD,iEAAyC;AAEzC,kDAA+C;AA8D/C,SAAS,8BAA8B,CACrC,MAAoB;IAEpB,uBAAuB;IACvB,mEAAmE;IACnE,IAAI,CAAC,MAAM,CAAC,IAAI;QAAE,MAAM,IAAI,KAAK,CAAC,oCAAoC,CAAC,CAAC;IACxE,IAAI,CAAC,MAAM,CAAC,KAAK;QAAE,MAAM,IAAI,KAAK,CAAC,qCAAqC,CAAC,CAAC;IAC1E,IAAI,CAAC,MAAM,CAAC,WAAW,EAAE;QACvB,MAAM,IAAI,KAAK,CAAC,2CAA2C,CAAC,CAAC;KAC9D;AACH,CAAC;AAED,MAAM,YAAY,GAAG,CACnB,IAAe,EACf,SAAiB,EACjB,OAAe,EACD,EAAE;IAChB,OAAO;QACL,KAAK,EAAE,GAAG;QACV,OAAO,EAAE,CAAC;QACV,IAAI,EAAE,QAAQ;QACd,MAAM,EAAE,IAAI,CAAC,CAAC,GAAG,IAAI,CAAC,KAAK,CAAC,KAAK;QACjC,KAAK,EAAE,IAAI,CAAC,CAAC,GAAG,IAAI,CAAC,KAAK,CAAC,KAAK;QAChC,OAAO,EAAE,SAAS;QAClB,OAAO;QACP,YAAY,EAAE;YACZ,IAAI,EAAE,IAAI,CAAC,CAAC,GAAG,IAAI,CAAC,KAAK,CAAC,KAAK,GAAG,CAAC;YACnC,EAAE,EAAE,IAAI,CAAC,CAAC,GAAG,IAAI,CAAC,KAAK,CAAC,KAAK,GAAG,CAAC;YACjC,KAAK,EAAE,CAAC;SACT;QACD,KAAK,EAAE;YACL;gBACE,CAAC,EAAE,IAAI,CAAC,CAAC;gBACT,SAAS,EAAE,IAAI,CAAC,CAAC;gBACjB,KAAK,EAAE;oBACL,KAAK,EAAE,IAAI,CAAC,KAAK,CAAC,KAAK;iBACxB;aACF;SACF;KACF,CAAC;AACJ,CAAC,CAAC;AACF;;GAEG;AAEH,SAAgB,aAAa,CAC3B,IAAY,EACZ,QAAqB,EACrB,UAAgC,EAAE;IAElC,IAAI,EACF,cAAc,GAAG,GAAG,EACpB,iBAAiB,GAAG,IAAI,EACxB,KAAK,GAAG,GAAG,EACX,OAAO,GAAG,IAAI,EACd,YAAY,GAAG,KAAK,EACpB,SAAS,GAAG,GAAG,EACf,gBAAgB,GAAG,EAAE,EACrB,SAAS,GAAG,KAAK,EACjB,OAAO,GAAG,IAAI,GACf,GAAG,OAAO,CAAC;IAEZ,IAAI,aAAa,GAAG;QAClB,cAAc;QACd,YAAY;QACZ,gBAAgB;QAChB,SAAS;QACT,OAAO;KACR,CAAC;IAEF,IAAI,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE;QACzB,IAAI,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC;QAC1B,IAAI,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC;KAC3B;IAED,IAAI,OAAO,GAAG,aAAa,CAAC,IAAI,EAAE,QAAQ,EAAE,aAAa,CAAC,CAAC;IAE3D,IAAI,KAAK,EAAE;QACT,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACvC,IAAI,IAAI,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,YAAY,CAAC,KAAK,CAAC,GAAG,KAAK,EAAE;gBACnD,OAAO,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;aACtB;SACF;KACF;IAED,IAAI,OAAO,EAAE;QACX,IAAI,GAAG,EAAE,GAAG,CAAC;QACb,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACvC,OAAO,CAAC,CAAC,CAAC,GAAG,mBAAS,CAAC,cAAc,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC;YAClD,IAAI,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;YACxB,IACE,MAAM,CAAC,WAAW;gBAClB,MAAM,CAAC,YAAY,KAAK,GAAG;gBAC3B,MAAM,CAAC,YAAY,KAAK,EAAE,EAC1B;gBACA,8BAA8B,CAAC,MAAM,CAAC,CAAC;gBACvC,6CAA6C;gBAC7C,GAAG,GAAG,CAAC,CAAC;gBACR,GAAG,GAAG,CAAC,CAAC;gBACR,IAAI,MAAM,GAAG,EAAE,CAAC;gBAChB,KAAK,IAAI,CAAC,GAAG,MAAM,CAAC,WAAW,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,IAAI,CAAC,EAAE,CAAC,EAAE,EAAE;oBACvD,GAAG,IAAI,WAAW,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;oBACpC,IAAI,MAAM,CAAC,WAAW,CAAC,CAAC,CAAC,KAAK,KAAK,EAAE;wBACnC,IAAI,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;wBACzC,MAAM,CAAC,IAAI,CAAC;4BACV,CAAC,EAAE,KAAK,CAAC,CAAC;4BACV,CAAC,EAAE,KAAK,CAAC,SAAS;4BAClB,KAAK,EAAE;gCACL,KAAK,EAAE,KAAK,CAAC,KAAK,CAAC,KAAK;6BACzB;yBACF,CAAC,CAAC;wBACH,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;wBACzB,MAAM,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;wBAC1B,MAAM,CAAC,WAAW,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;wBAChC,MAAM,CAAC,OAAO,EAAE,CAAC;wBACjB,GAAG,IAAI,WAAW,CAAC,KAAK,CAAC,CAAC;qBAC3B;iBACF;gBACD,IAAI,MAAM,CAAC,MAAM,GAAG,CAAC,EAAE;oBACrB,GAAG,GAAG,CAAC,GAAG,GAAG,MAAM,CAAC,YAAY,CAAC,KAAK,CAAC,GAAG,GAAG,CAAC;oBAC9C,MAAM,CAAC,YAAY,CAAC,KAAK,IAAI,GAAG,CAAC;oBACjC,IAAI,MAAM,GAAG,EAAE,CAAC;oBAChB,KAAK,IAAI,CAAC,GAAG,MAAM,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,IAAI,CAAC,EAAE,CAAC,EAAE,EAAE;wBAC3C,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC;qBACxB;oBACD,aAAa,CAAC,cAAc,GAAG,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC;oBAC7C,IAAI,MAAM,GAAG,aAAa,CAAC,IAAI,EAAE,MAAM,EAAE,aAAa,CAAC,CAAC;oBAExD,KAAK,MAAM,KAAK,IAAI,MAAM,EAAE;wBAC1B,OAAO,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;qBACrB;iBACF;aACF;SACF;QACD,qCAAqC;QACrC,IAAI,WAAW,GAAG,CAAC,CAAC;QACpB,IAAI,WAAW,GAAG,CAAC,CAAC;QACpB,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;YAC5B,WAAW,IAAI,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,YAAY,CAAC,KAAK,CAAC,CAAC,CAAC;SAChE;QACD,IAAI,WAAW,KAAK,cAAc,EAAE;YAClC,WAAW,GAAG,cAAc,GAAG,WAAW,CAAC;YAC3C,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;gBAC5B,MAAM,CAAC,YAAY,CAAC,KAAK,IAAI,WAAW,CAAC;aAC1C;SACF;KACF;IAED,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE;QACpB,OAAO,CAAC,CAAC,KAAK,GAAG,CAAC,CAAC,KAAK,CAAC;IAC3B,CAAC,CAAC,CAAC;IAEH,IAAI,KAAK,EAAE;QACT,KAAK,IAAI,CAAC,GAAG,OAAO,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,IAAI,CAAC,EAAE,CAAC,EAAE,EAAE;YAC5C,IAAI,IAAI,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,YAAY,CAAC,KAAK,CAAC,GAAG,KAAK,EAAE;gBACnD,OAAO,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;aACtB;SACF;KACF;IAED,IAAI,MAAM,GAAe,EAAE,CAAC;IAC5B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACvC,IAAI,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACxB,MAAM,KAAK,GAAa;YACtB,IAAI,EAAE,MAAM,CAAC,YAAY,CAAC,IAAI;YAC9B,EAAE,EAAE,MAAM,CAAC,YAAY,CAAC,EAAE;YAC1B,WAAW,EAAE,MAAM,CAAC,YAAY,CAAC,KAAK;SACvC,CAAC;QACF,MAAM,YAAY,GAAgB;YAChC,KAAK,EAAE,MAAM,CAAC,KAAK;YACnB,IAAI,EAA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import type {
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import type { NMRPeak1D } from './NMRPeak1D';
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import type { Jcoupling } from './jcoupling';
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export interface NMRSignal1D {
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delta: number;
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diaIDs?: string[];
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nbAtoms?: number;
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integration?: number;
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peaks?:
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peaks?: NMRPeak1D[];
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statistic?: {
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mean: number;
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sd: number;
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{"version":3,"file":"peaksToRanges.js","sourceRoot":"","sources":["../../src/peaks/peaksToRanges.ts"],"names":[],"mappings":"
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+
{"version":3,"file":"peaksToRanges.js","sourceRoot":"","sources":["../../src/peaks/peaksToRanges.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,aAAa,EAAE,MAAM,uBAAuB,CAAC;AAOtD,OAAO,SAAS,MAAM,kBAAkB,CAAC;AAEzC,OAAO,EAAE,UAAU,EAAE,MAAM,mBAAmB,CAAC;AA8D/C,SAAS,8BAA8B,CACrC,MAAoB;IAEpB,uBAAuB;IACvB,mEAAmE;IACnE,IAAI,CAAC,MAAM,CAAC,IAAI;QAAE,MAAM,IAAI,KAAK,CAAC,oCAAoC,CAAC,CAAC;IACxE,IAAI,CAAC,MAAM,CAAC,KAAK;QAAE,MAAM,IAAI,KAAK,CAAC,qCAAqC,CAAC,CAAC;IAC1E,IAAI,CAAC,MAAM,CAAC,WAAW,EAAE;QACvB,MAAM,IAAI,KAAK,CAAC,2CAA2C,CAAC,CAAC;KAC9D;AACH,CAAC;AAED,MAAM,YAAY,GAAG,CACnB,IAAe,EACf,SAAiB,EACjB,OAAe,EACD,EAAE;IAChB,OAAO;QACL,KAAK,EAAE,GAAG;QACV,OAAO,EAAE,CAAC;QACV,IAAI,EAAE,QAAQ;QACd,MAAM,EAAE,IAAI,CAAC,CAAC,GAAG,IAAI,CAAC,KAAK,CAAC,KAAK;QACjC,KAAK,EAAE,IAAI,CAAC,CAAC,GAAG,IAAI,CAAC,KAAK,CAAC,KAAK;QAChC,OAAO,EAAE,SAAS;QAClB,OAAO;QACP,YAAY,EAAE;YACZ,IAAI,EAAE,IAAI,CAAC,CAAC,GAAG,IAAI,CAAC,KAAK,CAAC,KAAK,GAAG,CAAC;YACnC,EAAE,EAAE,IAAI,CAAC,CAAC,GAAG,IAAI,CAAC,KAAK,CAAC,KAAK,GAAG,CAAC;YACjC,KAAK,EAAE,CAAC;SACT;QACD,KAAK,EAAE;YACL;gBACE,CAAC,EAAE,IAAI,CAAC,CAAC;gBACT,SAAS,EAAE,IAAI,CAAC,CAAC;gBACjB,KAAK,EAAE;oBACL,KAAK,EAAE,IAAI,CAAC,KAAK,CAAC,KAAK;iBACxB;aACF;SACF;KACF,CAAC;AACJ,CAAC,CAAC;AACF;;GAEG;AAEH,MAAM,UAAU,aAAa,CAC3B,IAAY,EACZ,QAAqB,EACrB,UAAgC,EAAE;IAElC,IAAI,EACF,cAAc,GAAG,GAAG,EACpB,iBAAiB,GAAG,IAAI,EACxB,KAAK,GAAG,GAAG,EACX,OAAO,GAAG,IAAI,EACd,YAAY,GAAG,KAAK,EACpB,SAAS,GAAG,GAAG,EACf,gBAAgB,GAAG,EAAE,EACrB,SAAS,GAAG,KAAK,EACjB,OAAO,GAAG,IAAI,GACf,GAAG,OAAO,CAAC;IAEZ,IAAI,aAAa,GAAG;QAClB,cAAc;QACd,YAAY;QACZ,gBAAgB;QAChB,SAAS;QACT,OAAO;KACR,CAAC;IAEF,IAAI,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE;QACzB,IAAI,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC;QAC1B,IAAI,CAAC,CAAC,GAAG,IAAI,CAAC,CAAC,CAAC,OAAO,EAAE,CAAC;KAC3B;IAED,IAAI,OAAO,GAAG,aAAa,CAAC,IAAI,EAAE,QAAQ,EAAE,aAAa,CAAC,CAAC;IAE3D,IAAI,KAAK,EAAE;QACT,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACvC,IAAI,IAAI,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,YAAY,CAAC,KAAK,CAAC,GAAG,KAAK,EAAE;gBACnD,OAAO,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;aACtB;SACF;KACF;IAED,IAAI,OAAO,EAAE;QACX,IAAI,GAAG,EAAE,GAAG,CAAC;QACb,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;YACvC,OAAO,CAAC,CAAC,CAAC,GAAG,SAAS,CAAC,cAAc,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC;YAClD,IAAI,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;YACxB,IACE,MAAM,CAAC,WAAW;gBAClB,MAAM,CAAC,YAAY,KAAK,GAAG;gBAC3B,MAAM,CAAC,YAAY,KAAK,EAAE,EAC1B;gBACA,8BAA8B,CAAC,MAAM,CAAC,CAAC;gBACvC,6CAA6C;gBAC7C,GAAG,GAAG,CAAC,CAAC;gBACR,GAAG,GAAG,CAAC,CAAC;gBACR,IAAI,MAAM,GAAG,EAAE,CAAC;gBAChB,KAAK,IAAI,CAAC,GAAG,MAAM,CAAC,WAAW,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,IAAI,CAAC,EAAE,CAAC,EAAE,EAAE;oBACvD,GAAG,IAAI,WAAW,CAAC,MAAM,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC;oBACpC,IAAI,MAAM,CAAC,WAAW,CAAC,CAAC,CAAC,KAAK,KAAK,EAAE;wBACnC,IAAI,KAAK,GAAG,MAAM,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;wBACzC,MAAM,CAAC,IAAI,CAAC;4BACV,CAAC,EAAE,KAAK,CAAC,CAAC;4BACV,CAAC,EAAE,KAAK,CAAC,SAAS;4BAClB,KAAK,EAAE;gCACL,KAAK,EAAE,KAAK,CAAC,KAAK,CAAC,KAAK;6BACzB;yBACF,CAAC,CAAC;wBACH,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;wBACzB,MAAM,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;wBAC1B,MAAM,CAAC,WAAW,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;wBAChC,MAAM,CAAC,OAAO,EAAE,CAAC;wBACjB,GAAG,IAAI,WAAW,CAAC,KAAK,CAAC,CAAC;qBAC3B;iBACF;gBACD,IAAI,MAAM,CAAC,MAAM,GAAG,CAAC,EAAE;oBACrB,GAAG,GAAG,CAAC,GAAG,GAAG,MAAM,CAAC,YAAY,CAAC,KAAK,CAAC,GAAG,GAAG,CAAC;oBAC9C,MAAM,CAAC,YAAY,CAAC,KAAK,IAAI,GAAG,CAAC;oBACjC,IAAI,MAAM,GAAG,EAAE,CAAC;oBAChB,KAAK,IAAI,CAAC,GAAG,MAAM,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,IAAI,CAAC,EAAE,CAAC,EAAE,EAAE;wBAC3C,MAAM,CAAC,IAAI,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC;qBACxB;oBACD,aAAa,CAAC,cAAc,GAAG,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,CAAC;oBAC7C,IAAI,MAAM,GAAG,aAAa,CAAC,IAAI,EAAE,MAAM,EAAE,aAAa,CAAC,CAAC;oBAExD,KAAK,MAAM,KAAK,IAAI,MAAM,EAAE;wBAC1B,OAAO,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC;qBACrB;iBACF;aACF;SACF;QACD,qCAAqC;QACrC,IAAI,WAAW,GAAG,CAAC,CAAC;QACpB,IAAI,WAAW,GAAG,CAAC,CAAC;QACpB,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;YAC5B,WAAW,IAAI,IAAI,CAAC,GAAG,CAAC,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,YAAY,CAAC,KAAK,CAAC,CAAC,CAAC;SAChE;QACD,IAAI,WAAW,KAAK,cAAc,EAAE;YAClC,WAAW,GAAG,cAAc,GAAG,WAAW,CAAC;YAC3C,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;gBAC5B,MAAM,CAAC,YAAY,CAAC,KAAK,IAAI,WAAW,CAAC;aAC1C;SACF;KACF;IAED,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,EAAE,CAAC,EAAE,EAAE;QACpB,OAAO,CAAC,CAAC,KAAK,GAAG,CAAC,CAAC,KAAK,CAAC;IAC3B,CAAC,CAAC,CAAC;IAEH,IAAI,KAAK,EAAE;QACT,KAAK,IAAI,CAAC,GAAG,OAAO,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,IAAI,CAAC,EAAE,CAAC,EAAE,EAAE;YAC5C,IAAI,IAAI,CAAC,GAAG,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,YAAY,CAAC,KAAK,CAAC,GAAG,KAAK,EAAE;gBACnD,OAAO,CAAC,MAAM,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC;aACtB;SACF;KACF;IAED,IAAI,MAAM,GAAe,EAAE,CAAC;IAC5B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,OAAO,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACvC,IAAI,MAAM,GAAG,OAAO,CAAC,CAAC,CAAC,CAAC;QACxB,MAAM,KAAK,GAAa;YACtB,IAAI,EAAE,MAAM,CAAC,YAAY,CAAC,IAAI;YAC9B,EAAE,EAAE,MAAM,CAAC,YAAY,CAAC,EAAE;YAC1B,WAAW,EAAE,MAAM,CAAC,YAAY,CAAC,KAAK;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|
package/package.json
CHANGED
|
@@ -1,5 +1,4 @@
|
|
|
1
1
|
import type { DataXY } from 'cheminfo-types';
|
|
2
|
-
import type { GSDPeak } from 'ml-gsd';
|
|
3
2
|
import { xyIntegration } from 'ml-spectra-processing';
|
|
4
3
|
|
|
5
4
|
import type { MakeMandatory } from '../types/MakeMandatory';
|
|
@@ -251,7 +250,7 @@ export function peaksToRanges(
|
|
|
251
250
|
...peak,
|
|
252
251
|
};
|
|
253
252
|
delete newResult.intensity;
|
|
254
|
-
return newResult as
|
|
253
|
+
return newResult as NMRPeak1D;
|
|
255
254
|
});
|
|
256
255
|
}
|
|
257
256
|
if (signal.nmrJs) {
|
package/src/types/NMRSignal1D.ts
CHANGED
|
@@ -1,5 +1,4 @@
|
|
|
1
|
-
import type {
|
|
2
|
-
|
|
1
|
+
import type { NMRPeak1D } from './NMRPeak1D';
|
|
3
2
|
import type { Jcoupling } from './jcoupling';
|
|
4
3
|
|
|
5
4
|
export interface NMRSignal1D {
|
|
@@ -12,7 +11,7 @@ export interface NMRSignal1D {
|
|
|
12
11
|
diaIDs?: string[];
|
|
13
12
|
nbAtoms?: number;
|
|
14
13
|
integration?: number;
|
|
15
|
-
peaks?:
|
|
14
|
+
peaks?: NMRPeak1D[];
|
|
16
15
|
statistic?: {
|
|
17
16
|
mean: number;
|
|
18
17
|
sd: number;
|