nmr-processing 9.6.0 → 9.6.1

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Files changed (43) hide show
  1. package/lib/datum/Filters.d.ts +1 -1
  2. package/lib/datum/Filters.js.map +1 -1
  3. package/lib/datum/data1d/filter1d/apodization/apodization.js.map +1 -1
  4. package/lib/datum/data1d/filter1d/apodization/apodizationFilter.js.map +1 -1
  5. package/lib/datum/data1d/filter1d/baselineCorrection.d.ts +7 -10
  6. package/lib/datum/data1d/filter1d/baselineCorrection.js.map +1 -1
  7. package/lib/datum/data1d/filter1d/digitalFilter.js.map +1 -1
  8. package/lib/datum/data1d/filter1d/fft.js.map +1 -1
  9. package/lib/datum/data1d/filter1d/phaseCorrection.js.map +1 -1
  10. package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -1
  11. package/lib/datum/data1d/filter1d/zeroFilling.js.map +1 -1
  12. package/lib/datum/data1d/utils/mapRanges.d.ts +2 -1
  13. package/lib/datum/data1d/utils/mapRanges.js +24 -2
  14. package/lib/datum/data1d/utils/mapRanges.js.map +1 -1
  15. package/lib/index.d.ts +1 -0
  16. package/lib/index.js +1 -0
  17. package/lib/index.js.map +1 -1
  18. package/lib-esm/datum/Filters.js.map +1 -1
  19. package/lib-esm/datum/data1d/filter1d/apodization/apodization.js.map +1 -1
  20. package/lib-esm/datum/data1d/filter1d/apodization/apodizationFilter.js.map +1 -1
  21. package/lib-esm/datum/data1d/filter1d/baselineCorrection.js.map +1 -1
  22. package/lib-esm/datum/data1d/filter1d/digitalFilter.js.map +1 -1
  23. package/lib-esm/datum/data1d/filter1d/fft.js.map +1 -1
  24. package/lib-esm/datum/data1d/filter1d/phaseCorrection.js.map +1 -1
  25. package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -1
  26. package/lib-esm/datum/data1d/filter1d/zeroFilling.js.map +1 -1
  27. package/lib-esm/datum/data1d/utils/mapRanges.js +24 -2
  28. package/lib-esm/datum/data1d/utils/mapRanges.js.map +1 -1
  29. package/lib-esm/index.js +1 -0
  30. package/lib-esm/index.js.map +1 -1
  31. package/package.json +1 -1
  32. package/src/datum/Filters.ts +1 -0
  33. package/src/datum/data1d/Entry1D.ts +1 -0
  34. package/src/datum/data1d/filter1d/apodization/apodization.ts +1 -0
  35. package/src/datum/data1d/filter1d/apodization/apodizationFilter.ts +2 -1
  36. package/src/datum/data1d/filter1d/baselineCorrection.ts +8 -2
  37. package/src/datum/data1d/filter1d/digitalFilter.ts +1 -0
  38. package/src/datum/data1d/filter1d/fft.ts +1 -1
  39. package/src/datum/data1d/filter1d/phaseCorrection.ts +1 -1
  40. package/src/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.ts +1 -1
  41. package/src/datum/data1d/filter1d/zeroFilling.ts +1 -0
  42. package/src/datum/data1d/utils/mapRanges.ts +29 -3
  43. package/src/index.ts +1 -0
@@ -1,6 +1,6 @@
1
1
  import { FilterDomainUpdateRules } from './FiltersManager';
2
2
  export type { ApodizationOptions } from './data1d/filter1d/apodization/apodization';
3
- export type { BaselineAlgorithms, PolynomialOptions, AirplsOptions, BaselineCorrectionOptions, } from './data1d/filter1d/baselineCorrection';
3
+ export type { BaselineAlgorithms, PolynomialOptions, AirplsOptions, BaselineCorrectionZone, BaselineCorrectionOptions, } from './data1d/filter1d/baselineCorrection';
4
4
  export type { PhaseCorrectionParameters, AutoPhaseCorrectionOptions, } from './data1d/filter1d/phaseCorrection';
5
5
  export type { ZeroFillingOptions } from './data1d/filter1d/zeroFilling';
6
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  export { apodizationFilter } from './data1d/filter1d/apodization/apodizationFilter';
@@ -1 +1 @@
1
- {"version":3,"file":"Filters.js","sourceRoot":"","sources":["../../src/datum/Filters.ts"],"names":[],"mappings":";;;;;;;;;;;;;;;;;;;;;;;;;;AACA,uFAAyE;AACzE,yFAA2E;AAC3E,+EAAiE;AACjE,+EAAiE;AACjE,iFAAmE;AACnE,2DAA6C;AAC7C,mFAAqE;AACrE,iEAAmD;AACnD,qFAAuE;AACvE,2EAA6D;AAC7D,mEAAqD;AACrD,mEAAqD;AAerD,qFAAoF;AAA3E,sHAAA,iBAAiB,OAAA;AAEb,QAAA,OAAO,GAUhB;IACF,WAAW;IACX,cAAc;IACd,gBAAgB;IAChB,kBAAkB;IAClB,aAAa;IACb,aAAa;IACb,GAAG;IACH,eAAe;IACf,MAAM;IACN,WAAW;IACX,QAAQ;IACR,QAAQ;CACT,CAAC"}
1
+ {"version":3,"file":"Filters.js","sourceRoot":"","sources":["../../src/datum/Filters.ts"],"names":[],"mappings":";;;;;;;;;;;;;;;;;;;;;;;;;;AACA,uFAAyE;AACzE,yFAA2E;AAC3E,+EAAiE;AACjE,+EAAiE;AACjE,iFAAmE;AACnE,2DAA6C;AAC7C,mFAAqE;AACrE,iEAAmD;AACnD,qFAAuE;AACvE,2EAA6D;AAC7D,mEAAqD;AACrD,mEAAqD;AAgBrD,qFAAoF;AAA3E,sHAAA,iBAAiB,OAAA;AAEb,QAAA,OAAO,GAUhB;IACF,WAAW;IACX,cAAc;IACd,gBAAgB;IAChB,kBAAkB;IAClB,aAAa;IACb,aAAa;IACb,GAAG;IACH,eAAe;IACf,MAAM;IACN,WAAW;IACX,QAAQ;IACR,QAAQ;CACT,CAAC"}
@@ -1 +1 @@
1
- {"version":3,"file":"apodization.js","sourceRoot":"","sources":["../../../../../src/datum/data1d/filter1d/apodization/apodization.ts"],"names":[],"mappings":";;;AAKA,2DAAwD;AAE3C,QAAA,EAAE,GAAG,aAAa,CAAC;AACnB,QAAA,IAAI,GAAG,aAAa,CAAC;AACrB,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,KAAK;CACrB,CAAC;AAaF,SAAgB,KAAK,CACnB,OAAiC,EACjC,OAA2B;IAE3B,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,yCAAyC,CAAC,CAAC;KAC5D;IACD,MAAM,OAAO,GAAG,IAAA,qCAAiB,EAAC,OAAO,EAAE,OAAO,CAAC,CAAC;IAEpD,OAAO,CAAC,IAAI,GAAG;QACb,GAAG,OAAO,CAAC,IAAI;QACf,EAAE,EAAE,OAAO,CAAC,EAAkB;QAC9B,EAAE,EAAE,OAAO,CAAC,EAAkB;KAC/B,CAAC;AACJ,CAAC;AAdD,sBAcC;AACD,SAAgB,YAAY,CAC1B,OAAiC;IAEjC,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,IAAI,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IAC9D,OAAO,KAAK,CAAC;AACf,CAAC;AALD,oCAKC;AAED,SAAgB,MAAM,CAAC,aAAkB,EAAE,QAAa;IACtD,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,QAAQ;KACjB,CAAC;AACJ,CAAC;AALD,wBAKC"}
1
+ {"version":3,"file":"apodization.js","sourceRoot":"","sources":["../../../../../src/datum/data1d/filter1d/apodization/apodization.ts"],"names":[],"mappings":";;;AAMA,2DAAwD;AAE3C,QAAA,EAAE,GAAG,aAAa,CAAC;AACnB,QAAA,IAAI,GAAG,aAAa,CAAC;AACrB,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,KAAK;CACrB,CAAC;AAaF,SAAgB,KAAK,CACnB,OAAiC,EACjC,OAA2B;IAE3B,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,yCAAyC,CAAC,CAAC;KAC5D;IACD,MAAM,OAAO,GAAG,IAAA,qCAAiB,EAAC,OAAO,EAAE,OAAO,CAAC,CAAC;IAEpD,OAAO,CAAC,IAAI,GAAG;QACb,GAAG,OAAO,CAAC,IAAI;QACf,EAAE,EAAE,OAAO,CAAC,EAAkB;QAC9B,EAAE,EAAE,OAAO,CAAC,EAAkB;KAC/B,CAAC;AACJ,CAAC;AAdD,sBAcC;AACD,SAAgB,YAAY,CAC1B,OAAiC;IAEjC,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,IAAI,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IAC9D,OAAO,KAAK,CAAC;AACf,CAAC;AALD,oCAKC;AAED,SAAgB,MAAM,CAAC,aAAkB,EAAE,QAAa;IACtD,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,QAAQ;KACjB,CAAC;AACJ,CAAC;AALD,wBAKC"}
@@ -1 +1 @@
1
- {"version":3,"file":"apodizationFilter.js","sourceRoot":"","sources":["../../../../../src/datum/data1d/filter1d/apodization/apodizationFilter.ts"],"names":[],"mappings":";;;AAAA,qEAAkE;AAYlE,SAAgB,iBAAiB,CAC/B,OAAiC,EACjC,OAA2B;IAE3B,MAAM,EAAE,cAAc,EAAE,eAAe,EAAE,oBAAoB,EAAE,GAAG,OAAO,CAAC;IAE1E,MAAM,MAAM,GAAG,OAAO,CAAC,IAAI,EAAE,aAAa,IAAI,CAAC,CAAC;IAChD,MAAM,aAAa,GAAG,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IAE1D,MAAM,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC,EAAE,CAAC;IAC3B,MAAM,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC,EAAE,CAAC;IAC3B,MAAM,CAAC,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC;IAEzB,MAAM,MAAM,GAAG,EAAE,CAAC,MAAM,CAAC;IACzB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,0FAA0F;IAE5I,OAAO,IAAA,yBAAW,EAChB,EAAE,EAAE,EAAE,EAAE,EAAE,EACV;QACE,aAAa;QACb,OAAO,EAAE;YACP,MAAM;YACN,MAAM,EAAE;gBACN;oBACE,KAAK,EAAE,CAAC;oBACR,KAAK,EAAE;wBACL,IAAI,EAAE,gBAAgB;wBACtB,OAAO,EAAE;4BACP,MAAM;4BACN,EAAE;4BACF,aAAa,EACX,eAAe,GAAG,CAAC,CAAC,CAAC,CAAC,cAAc,CAAC,CAAC,CAAC,CAAC,cAAc;4BACxD,UAAU,EAAE,eAAe;4BAC3B,MAAM,EAAE,oBAAoB;yBAC7B;qBACF;iBACF;aACF;SACF;KACF,CACF,CAAC;AACJ,CAAC;AAzCD,8CAyCC"}
1
+ {"version":3,"file":"apodizationFilter.js","sourceRoot":"","sources":["../../../../../src/datum/data1d/filter1d/apodization/apodizationFilter.ts"],"names":[],"mappings":";;;AAEA,qEAAkE;AAWlE,SAAgB,iBAAiB,CAC/B,OAAiC,EACjC,OAA2B;IAE3B,MAAM,EAAE,cAAc,EAAE,eAAe,EAAE,oBAAoB,EAAE,GAAG,OAAO,CAAC;IAE1E,MAAM,MAAM,GAAG,OAAO,CAAC,IAAI,EAAE,aAAa,IAAI,CAAC,CAAC;IAChD,MAAM,aAAa,GAAG,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IAE1D,MAAM,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC,EAAE,CAAC;IAC3B,MAAM,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC,EAAE,CAAC;IAC3B,MAAM,CAAC,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC;IAEzB,MAAM,MAAM,GAAG,EAAE,CAAC,MAAM,CAAC;IACzB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,0FAA0F;IAE5I,OAAO,IAAA,yBAAW,EAChB,EAAE,EAAE,EAAE,EAAE,EAAE,EACV;QACE,aAAa;QACb,OAAO,EAAE;YACP,MAAM;YACN,MAAM,EAAE;gBACN;oBACE,KAAK,EAAE,CAAC;oBACR,KAAK,EAAE;wBACL,IAAI,EAAE,gBAAgB;wBACtB,OAAO,EAAE;4BACP,MAAM;4BACN,EAAE;4BACF,aAAa,EACX,eAAe,GAAG,CAAC,CAAC,CAAC,CAAC,cAAc,CAAC,CAAC,CAAC,CAAC,cAAc;4BACxD,UAAU,EAAE,eAAe;4BAC3B,MAAM,EAAE,oBAAoB;yBAC7B;qBACF;iBACF;aACF;SACF;KACF,CACF,CAAC;AACJ,CAAC;AAzCD,8CAyCC"}
@@ -4,21 +4,18 @@ export declare const id = "baselineCorrection";
4
4
  export declare const name = "Baseline correction";
5
5
  export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
6
6
  export type BaselineAlgorithms = 'airpls' | 'polynomial';
7
+ export interface BaselineCorrectionZone {
8
+ from: number;
9
+ to: number;
10
+ id: string;
11
+ }
7
12
  export interface PolynomialOptions {
8
- zones: Array<{
9
- from: number;
10
- to: number;
11
- id: string;
12
- }>;
13
+ zones: BaselineCorrectionZone[];
13
14
  algorithm: 'polynomial';
14
15
  degree: number;
15
16
  }
16
17
  export interface AirplsOptions {
17
- zones: Array<{
18
- from: number;
19
- to: number;
20
- id: string;
21
- }>;
18
+ zones: BaselineCorrectionZone[];
22
19
  algorithm: 'airpls';
23
20
  maxIterations: number;
24
21
  tolerance: number;
@@ -1 +1 @@
1
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1
+ {"version":3,"file":"baselineCorrection.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/baselineCorrection.ts"],"names":[],"mappings":";;;;;;AAAA,0DAA+B;AAC/B,0GAAmE;AACnE,iEAAwD;AAK3C,QAAA,EAAE,GAAG,oBAAoB,CAAC;AAC1B,QAAA,IAAI,GAAG,qBAAqB,CAAC;AAC7B,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,KAAK;IACpB,aAAa,EAAE,IAAI;CACpB,CAAC;AAyBF,SAAgB,KAAK,CAAC,OAAgB,EAAE,OAAkC;IACxE,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,gDAAgD,CAAC,CAAC;KACnE;IACD,MAAM,EAAE,SAAS,EAAE,GAAG,OAAO,CAAC;IAC9B,IAAI,EAAE,CAAC,EAAE,EAAE,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC;IAE7B,IAAI,SAAS,CAAC;IACd,QAAQ,SAAS,EAAE;QACjB,KAAK,QAAQ;YACX,SAAS,GAAG,IAAA,mBAAM,EAAC,CAAC,EAAE,EAAE,EAAE,OAAO,CAAC,CAAC,SAAS,CAAC;YAC7C,MAAM;QACR,KAAK,YAAY;YACf;gBACE,MAAM,EAAE,MAAM,EAAE,KAAK,EAAE,GAAG,OAAO,CAAC;gBAClC,IAAI,OAAO,GAAG,IAAA,uCAAe,EAC3B,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EACZ,EAAE,cAAc,EAAE,IAAI,EAAE,KAAK,EAAE,CAChC,CAAC;gBACF,IAAI,MAAM,GAAG,IAAA,2CAAkB,EAAC,OAAO,CAAC,CAAC,EAAE,OAAO,CAAC,CAAC,EAAE;oBACpD,iBAAiB,EAAE,MAAM;iBAC1B,CAAC,CAAC;gBACH,IAAI,EAAE,UAAU,EAAE,GAAG,MAAM,CAAC;gBAC5B,SAAS,GAAG,IAAI,YAAY,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC;gBACvC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;oBAClC,SAAS,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC,CAAC,CAAC,GAAG,UAAU,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;iBACjD;aACF;YAED,MAAM;QACR;YACE,4EAA4E;YAC5E,MAAM,IAAI,KAAK,CAAC,0CAA0C,SAAS,EAAE,CAAC,CAAC;KAC1E;IAED,MAAM,CAAC,MAAM,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,EAAE,EAAE,SAAS,EAAE,CAAC,CAAC;AACjD,CAAC;AApCD,sBAoCC;AAED,SAAgB,YAAY,CAAC,OAAgB;IAC3C,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IACrC,OAAO,KAAK,CAAC;AACf,CAAC;AAHD,oCAGC;AAED,SAAgB,MAAM,CACpB,aAAwC,EACxC,QAAmC;IAEnC,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,QAAQ;KACjB,CAAC;AACJ,CAAC;AARD,wBAQC"}
@@ -1 +1 @@
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+ {"version":3,"file":"zeroFilling.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/zeroFilling.ts"],"names":[],"mappings":";;;AAMa,QAAA,EAAE,GAAG,aAAa,CAAC;AACnB,QAAA,IAAI,GAAG,cAAc,CAAC;AACtB,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,KAAK;CACrB,CAAC;AAUF,SAAgB,KAAK,CACnB,OAA2B,EAC3B,OAA2B;IAE3B,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,yCAAyC,CAAC,CAAC;KAC5D;IAED,IAAI,EAAE,QAAQ,EAAE,MAAM,GAAG,CAAC,EAAE,GAAG,OAAO,CAAC;IAEvC,IAAI,CAAC,QAAQ,EAAE;QACb,QAAQ,GAAG,CAAC,IAAI,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC,MAAM,GAAG,MAAM,CAAC,CAAC,CAAC;QACtE,MAAM,MAAM,GAAG,OAAO,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,MAAM,CAAC,IAAI,KAAK,UAAE,CAAC,CAAC;QACpE,IAAI,MAAM,EAAE;YACV,MAAM,CAAC,KAAK,GAAG,EAAE,QAAQ,EAAE,CAAC;SAC7B;KACF;IAED,IAAI,oBAAoB,GAAG,OAAO,CAAC,OAAO,CAAC,IAAI,CAC7C,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC,CAAC,IAAI,KAAK,eAAe,IAAI,CAAC,CAAC,IAAI,CAC5C,CAAC;IAEF,MAAM,MAAM,GAAG,OAAO,CAAC,IAAI,EAAE,aAAa,IAAI,CAAC,CAAC;IAChD,MAAM,aAAa,GACjB,oBAAoB,IAAI,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IAE9D,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,CAAC,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC;IAEnC,IAAI,KAAK,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IACvC,IAAI,KAAK,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IACvC,IAAI,IAAI,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IAEtC,MAAM,MAAM,GAAG,IAAI,CAAC,GAAG,CAAC,QAAQ,EAAE,EAAE,CAAC,MAAM,CAAC,CAAC;IAE7C,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,EAAE,MAAM,GAAG,aAAa,CAAC,CAAC,CAAC;IAC/C,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,EAAE,MAAM,GAAG,aAAa,CAAC,CAAC,CAAC;IAC/C,IAAI,CAAC,GAAG,CAAC,CAAC,CAAC,KAAK,CAAC,CAAC,EAAE,MAAM,GAAG,aAAa,CAAC,CAAC,CAAC;IAE7C,IAAI,IAAI,GAAG,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;IACvB,IAAI,QAAQ,GAAG,CAAC,CAAC,MAAM,GAAG,aAAa,GAAG,CAAC,CAAC,CAAC;IAC7C,KAAK,IAAI,CAAC,GAAG,MAAM,GAAG,aAAa,EAAE,CAAC,GAAG,QAAQ,EAAE,CAAC,EAAE,EAAE;QACtD,QAAQ,IAAI,IAAI,CAAC;QACjB,IAAI,CAAC,CAAC,CAAC,GAAG,QAAQ,CAAC;KACpB;IAED,IAAI,aAAa,GAAG,CAAC,IAAI,aAAa,GAAG,QAAQ,EAAE;QACjD,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,EAAE,QAAQ,GAAG,aAAa,CAAC,CAAC;QACzE,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,EAAE,QAAQ,GAAG,aAAa,CAAC,CAAC;KAC1E;IAED,OAAO,CAAC,IAAI,GAAG,EAAE,GAAG,OAAO,CAAC,IAAI,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC,EAAE,IAAI,EAAE,CAAC;AACpE,CAAC;AAnDD,sBAmDC;AAED,SAAgB,YAAY,CAC1B,OAA2B;IAE3B,IAAI,OAAO,CAAC,IAAI,EAAE,SAAS,IAAI,OAAO,CAAC,IAAI,EAAE,KAAK,EAAE;QAClD,OAAO,IAAI,CAAC;KACb;IACD,OAAO,KAAK,CAAC;AACf,CAAC;AAPD,oCAOC;AAED,SAAgB,MAAM,CACpB,cAAkC,EAClC,QAA4B;IAE5B,OAAO,QAAQ,CAAC,MAAM,CAAC;IAEvB,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,QAAQ;KACjB,CAAC;AACJ,CAAC;AAVD,wBAUC"}
@@ -1,7 +1,8 @@
1
1
  import { Range } from '../../../types/Ranges/Ranges';
2
2
  import { MapOptions } from '../../../types/common/MapOptions';
3
+ import { NMRRange } from '../../../xy/NMRRange';
3
4
  import { Entry1D } from '../Entry1D';
4
- export declare function mapRanges(ranges: Range[], spectrum: Entry1D, options?: MapOptions): {
5
+ export declare function mapRanges(ranges: Range[] | NMRRange[], spectrum: Entry1D, options?: MapOptions): {
5
6
  absolute: number;
6
7
  signals: {
7
8
  originDelta: number | undefined;
@@ -4,6 +4,7 @@ exports.mapRanges = void 0;
4
4
  const uuid_1 = require("@lukeed/uuid");
5
5
  const ml_spectra_processing_1 = require("ml-spectra-processing");
6
6
  const SignalsKinds_1 = require("../../../constants/SignalsKinds");
7
+ const signalMultiplicityPattern_1 = require("../../../signal/signalMultiplicityPattern");
7
8
  const getShiftX_1 = require("./getShiftX");
8
9
  const getSpectrumErrorValue_1 = require("./getSpectrumErrorValue");
9
10
  function checkRange(range, spectrum, error) {
@@ -49,15 +50,36 @@ function getSignalDelta(signal, shiftTarget, shift) {
49
50
  };
50
51
  }
51
52
  }
53
+ function nmrRangeToRange(range) {
54
+ const { signals = [], integration = 0, ...restRange } = range;
55
+ const newSignals = [];
56
+ for (const signal of signals) {
57
+ const { multiplicity, ...restSignal } = signal;
58
+ newSignals.push({
59
+ id: (0, uuid_1.v4)(),
60
+ js: [],
61
+ multiplicity: multiplicity || (0, signalMultiplicityPattern_1.signalMultiplicityPattern)(signal),
62
+ ...restSignal,
63
+ });
64
+ }
65
+ return {
66
+ id: (0, uuid_1.v4)(),
67
+ integration,
68
+ absolute: integration || 0,
69
+ signals: newSignals,
70
+ ...restRange,
71
+ };
72
+ }
52
73
  function mapRanges(ranges, spectrum, options = {}) {
53
74
  const { checkIsExisting = true, shiftTarget = 'origin' } = options;
54
75
  const { x, re } = spectrum.data;
55
76
  const shiftX = (0, getShiftX_1.getShiftX)(spectrum);
56
77
  const error = (0, getSpectrumErrorValue_1.getSpectrumErrorValue)(spectrum);
78
+ let newRanges = ranges.map(nmrRangeToRange);
57
79
  if (checkIsExisting) {
58
- ranges = ranges.filter((r) => (checkIsExisting && !checkRange(r, spectrum, error)) || r.id === 'new');
80
+ newRanges = newRanges.filter((r) => (checkIsExisting && !checkRange(r, spectrum, error)) || r.id === 'new');
59
81
  }
60
- return ranges.map((range) => {
82
+ return newRanges.map((range) => {
61
83
  const rangeBoundary = getRange(range, shiftTarget, shiftX);
62
84
  const absolute = (0, ml_spectra_processing_1.xyIntegration)({ x, y: re }, { from: rangeBoundary.from, to: rangeBoundary.to, reverse: true });
63
85
  const signals = range.signals.map((signal) => {
@@ -1 +1 @@
1
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package/lib/index.d.ts CHANGED
@@ -23,6 +23,7 @@ export * from './signals/signals2DToZ';
23
23
  export * from './signals/optimizeSignals';
24
24
  export * from './signals/signalsToFID';
25
25
  export * from './signal/signalJoinCouplings';
26
+ export * from './signal/signalMultiplicityPattern';
26
27
  export * from './utilities/resurrect';
27
28
  export * from './utilities/rangeFromSignal';
28
29
  export * from './utilities/getFrequency';
package/lib/index.js CHANGED
@@ -52,6 +52,7 @@ __exportStar(require("./signals/signals2DToZ"), exports);
52
52
  __exportStar(require("./signals/optimizeSignals"), exports);
53
53
  __exportStar(require("./signals/signalsToFID"), exports);
54
54
  __exportStar(require("./signal/signalJoinCouplings"), exports);
55
+ __exportStar(require("./signal/signalMultiplicityPattern"), exports);
55
56
  __exportStar(require("./utilities/resurrect"), exports);
56
57
  __exportStar(require("./utilities/rangeFromSignal"), exports);
57
58
  __exportStar(require("./utilities/getFrequency"), exports);
package/lib/index.js.map CHANGED
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@@ -1 +1 @@
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@@ -1 +1 @@
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@@ -1,6 +1,7 @@
1
1
  import { v4 } from '@lukeed/uuid';
2
2
  import { xyIntegration } from 'ml-spectra-processing';
3
3
  import { DatumKind } from '../../../constants/SignalsKinds';
4
+ import { signalMultiplicityPattern } from '../../../signal/signalMultiplicityPattern';
4
5
  import { getShiftX } from './getShiftX';
5
6
  import { getSpectrumErrorValue } from './getSpectrumErrorValue';
6
7
  function checkRange(range, spectrum, error) {
@@ -46,15 +47,36 @@ function getSignalDelta(signal, shiftTarget, shift) {
46
47
  };
47
48
  }
48
49
  }
50
+ function nmrRangeToRange(range) {
51
+ const { signals = [], integration = 0, ...restRange } = range;
52
+ const newSignals = [];
53
+ for (const signal of signals) {
54
+ const { multiplicity, ...restSignal } = signal;
55
+ newSignals.push({
56
+ id: v4(),
57
+ js: [],
58
+ multiplicity: multiplicity || signalMultiplicityPattern(signal),
59
+ ...restSignal,
60
+ });
61
+ }
62
+ return {
63
+ id: v4(),
64
+ integration,
65
+ absolute: integration || 0,
66
+ signals: newSignals,
67
+ ...restRange,
68
+ };
69
+ }
49
70
  export function mapRanges(ranges, spectrum, options = {}) {
50
71
  const { checkIsExisting = true, shiftTarget = 'origin' } = options;
51
72
  const { x, re } = spectrum.data;
52
73
  const shiftX = getShiftX(spectrum);
53
74
  const error = getSpectrumErrorValue(spectrum);
75
+ let newRanges = ranges.map(nmrRangeToRange);
54
76
  if (checkIsExisting) {
55
- ranges = ranges.filter((r) => (checkIsExisting && !checkRange(r, spectrum, error)) || r.id === 'new');
77
+ newRanges = newRanges.filter((r) => (checkIsExisting && !checkRange(r, spectrum, error)) || r.id === 'new');
56
78
  }
57
- return ranges.map((range) => {
79
+ return newRanges.map((range) => {
58
80
  const rangeBoundary = getRange(range, shiftTarget, shiftX);
59
81
  const absolute = xyIntegration({ x, y: re }, { from: rangeBoundary.from, to: rangeBoundary.to, reverse: true });
60
82
  const signals = range.signals.map((signal) => {
@@ -1 +1 @@
1
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1
+ {"version":3,"file":"mapRanges.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/mapRanges.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,EAAE,EAAE,MAAM,cAAc,CAAC;AAClC,OAAO,EAAE,aAAa,EAAE,MAAM,uBAAuB,CAAC;AAEtD,OAAO,EAAE,SAAS,EAAE,MAAM,iCAAiC,CAAC;AAC5D,OAAO,EAAE,yBAAyB,EAAE,MAAM,2CAA2C,CAAC;AAOtF,OAAO,EAAE,SAAS,EAAE,MAAM,aAAa,CAAC;AACxC,OAAO,EAAE,qBAAqB,EAAE,MAAM,yBAAyB,CAAC;AAEhE,SAAS,UAAU,CAAC,KAAY,EAAE,QAAiB,EAAE,KAAa;IAChE,uCAAuC;IACvC,KAAK,MAAM,EAAE,IAAI,EAAE,EAAE,EAAE,IAAI,QAAQ,CAAC,MAAM,EAAE,MAAM,IAAI,EAAE,EAAE;QACxD,IACE,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,KAAK;YACnC,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,EAAE,GAAG,EAAE,CAAC,GAAG,KAAK,EAC/B;YACA,OAAO,IAAI,CAAC;SACb;KACF;AACH,CAAC;AAED,SAAS,QAAQ,CACf,KAAY,EACZ,WAAiC,EACjC,KAAa;IAEb,MAAM,EAAE,UAAU,EAAE,QAAQ,EAAE,IAAI,EAAE,EAAE,EAAE,GAAG,KAAK,CAAC;IACjD,IAAI,WAAW,KAAK,QAAQ,EAAE;QAC5B,OAAO;YACL,UAAU,EAAE,IAAI,GAAG,KAAK;YACxB,QAAQ,EAAE,EAAE,GAAG,KAAK;YACpB,IAAI;YACJ,EAAE;SACH,CAAC;KACH;SAAM;QACL,OAAO;YACL,UAAU;YACV,QAAQ;YACR,IAAI,EAAE,CAAC,UAAU,IAAI,CAAC,CAAC,GAAG,KAAK;YAC/B,EAAE,EAAE,CAAC,QAAQ,IAAI,CAAC,CAAC,GAAG,KAAK;SAC5B,CAAC;KACH;AACH,CAAC;AAED,SAAS,cAAc,CACrB,MAAgB,EAChB,WAAwB,EACxB,KAAa;IAEb,MAAM,EAAE,KAAK,EAAE,WAAW,EAAE,GAAG,MAAM,CAAC;IACtC,IAAI,WAAW,KAAK,QAAQ,EAAE;QAC5B,OAAO;YACL,WAAW,EAAE,KAAK,GAAG,KAAK;YAC1B,KAAK;SACN,CAAC;KACH;SAAM;QACL,OAAO;YACL,WAAW;YACX,KAAK,EAAE,CAAC,WAAW,IAAI,CAAC,CAAC,GAAG,KAAK;SAClC,CAAC;KACH;AACH,CAAC;AAED,SAAS,eAAe,CAAC,KAAe;IACtC,MAAM,EAAE,OAAO,GAAG,EAAE,EAAE,WAAW,GAAG,CAAC,EAAE,GAAG,SAAS,EAAE,GAAG,KAAK,CAAC;IAC9D,MAAM,UAAU,GAAe,EAAE,CAAC;IAClC,KAAK,MAAM,MAAM,IAAI,OAAO,EAAE;QAC5B,MAAM,EAAE,YAAY,EAAE,GAAG,UAAU,EAAE,GAAG,MAAM,CAAC;QAC/C,UAAU,CAAC,IAAI,CAAC;YACd,EAAE,EAAE,EAAE,EAAE;YACR,EAAE,EAAE,EAAE;YACN,YAAY,EAAE,YAAY,IAAI,yBAAyB,CAAC,MAAM,CAAC;YAC/D,GAAG,UAAU;SACd,CAAC,CAAC;KACJ;IACD,OAAO;QACL,EAAE,EAAE,EAAE,EAAE;QACR,WAAW;QACX,QAAQ,EAAE,WAAW,IAAI,CAAC;QAC1B,OAAO,EAAE,UAAU;QACnB,GAAG,SAAS;KACb,CAAC;AACJ,CAAC;AAED,MAAM,UAAU,SAAS,CACvB,MAA4B,EAC5B,QAAiB,EACjB,UAAsB,EAAE;IAExB,MAAM,EAAE,eAAe,GAAG,IAAI,EAAE,WAAW,GAAG,QAAQ,EAAE,GAAG,OAAO,CAAC;IACnE,MAAM,EAAE,CAAC,EAAE,EAAE,EAAE,GAAG,QAAQ,CAAC,IAAI,CAAC;IAChC,MAAM,MAAM,GAAG,SAAS,CAAC,QAAQ,CAAC,CAAC;IACnC,MAAM,KAAK,GAAG,qBAAqB,CAAC,QAAQ,CAAC,CAAC;IAE9C,IAAI,SAAS,GAAG,MAAM,CAAC,GAAG,CAAC,eAAe,CAAC,CAAC;IAC5C,IAAI,eAAe,EAAE;QACnB,SAAS,GAAG,SAAS,CAAC,MAAM,CAC1B,CAAC,CAAC,EAAE,EAAE,CACJ,CAAC,eAAe,IAAI,CAAC,UAAU,CAAC,CAAC,EAAE,QAAQ,EAAE,KAAK,CAAC,CAAC,IAAI,CAAC,CAAC,EAAE,KAAK,KAAK,CACzE,CAAC;KACH;IACD,OAAO,SAAS,CAAC,GAAG,CAAC,CAAC,KAAK,EAAE,EAAE;QAC7B,MAAM,aAAa,GAAG,QAAQ,CAAC,KAAK,EAAE,WAAW,EAAE,MAAM,CAAC,CAAC;QAE3D,MAAM,QAAQ,GAAG,aAAa,CAC5B,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EACZ,EAAE,IAAI,EAAE,aAAa,CAAC,IAAI,EAAE,EAAE,EAAE,aAAa,CAAC,EAAE,EAAE,OAAO,EAAE,IAAI,EAAE,CAClE,CAAC;QACF,MAAM,OAAO,GAAG,KAAK,CAAC,OAAO,CAAC,GAAG,CAAC,CAAC,MAAM,EAAE,EAAE;YAC3C,MAAM,EAAE,IAAI,GAAG,IAAI,EAAE,EAAE,EAAE,GAAG,SAAS,EAAE,GAAG,MAAM,CAAC;YACjD,OAAO;gBACL,IAAI,EAAE,IAAI,IAAI,QAAQ;gBACtB,EAAE,EAAE,EAAE,IAAI,EAAE,EAAE;gBACd,GAAG,SAAS;gBACZ,GAAG,cAAc,CAAC,MAAM,EAAE,WAAW,EAAE,MAAM,CAAC;aAC/C,CAAC;QACJ,CAAC,CAAC,CAAC;QAEH,OAAO;YACL,GAAG,KAAK;YACR,EAAE,EAAE,KAAK,CAAC,EAAE,IAAI,EAAE,EAAE;YACpB,IAAI,EAAE,OAAO,EAAE,CAAC,CAAC,CAAC,CAAC,IAAI,IAAI,SAAS,CAAC,MAAM;YAC3C,GAAG,aAAa;YAChB,QAAQ;YACR,OAAO;SACR,CAAC;IACJ,CAAC,CAAC,CAAC;AACL,CAAC"}
package/lib-esm/index.js CHANGED
@@ -23,6 +23,7 @@ export * from './signals/signals2DToZ';
23
23
  export * from './signals/optimizeSignals';
24
24
  export * from './signals/signalsToFID';
25
25
  export * from './signal/signalJoinCouplings';
26
+ export * from './signal/signalMultiplicityPattern';
26
27
  export * from './utilities/resurrect';
27
28
  export * from './utilities/rangeFromSignal';
28
29
  export * from './utilities/getFrequency';
@@ -1 +1 @@
1
- {"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":"AAAA,cAAc,oBAAoB,CAAC;AACnC,cAAc,wBAAwB,CAAC;AACvC,cAAc,0BAA0B,CAAC;AACzC,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;AACtC,cAAc,2BAA2B,CAAC;AAE1C,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;AAElD,cAAc,iBAAiB,CAAC;AAChC,OAAO,KAAK,cAAc,MAAM,wBAAwB,CAAC;AACzD,cAAc,gCAAgC,CAAC;AAC/C,cAAc,4CAA4C,CAAC;AAC3D,cAAc,+BAA+B,CAAC;AAC9C,cAAc,gCAAgC,CAAC;AAC/C,cAAc,mCAAmC,CAAC;AAClD,cAAc,mCAAmC,CAAC;AAClD,cAAc,wCAAwC,CAAC;AACvD,cAAc,iDAAiD,CAAC;AAChE,cAAc,oDAAoD,CAAC;AACnE,OAAO,KAAK,cAAc,MAAM,qCAAqC,CAAC"}
1
+ {"version":3,"file":"index.js","sourceRoot":"","sources":["../src/index.ts"],"names":[],"mappings":"AAAA,cAAc,oBAAoB,CAAC;AACnC,cAAc,wBAAwB,CAAC;AACvC,cAAc,0BAA0B,CAAC;AACzC,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;AAC7C,cAAc,oCAAoC,CAAC;AAEnD,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;AACtC,cAAc,2BAA2B,CAAC;AAE1C,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;AAElD,cAAc,iBAAiB,CAAC;AAChC,OAAO,KAAK,cAAc,MAAM,wBAAwB,CAAC;AACzD,cAAc,gCAAgC,CAAC;AAC/C,cAAc,4CAA4C,CAAC;AAC3D,cAAc,+BAA+B,CAAC;AAC9C,cAAc,gCAAgC,CAAC;AAC/C,cAAc,mCAAmC,CAAC;AAClD,cAAc,mCAAmC,CAAC;AAClD,cAAc,wCAAwC,CAAC;AACvD,cAAc,iDAAiD,CAAC;AAChE,cAAc,oDAAoD,CAAC;AACnE,OAAO,KAAK,cAAc,MAAM,qCAAqC,CAAC"}
package/package.json CHANGED
@@ -1,6 +1,6 @@
1
1
  {
2
2
  "name": "nmr-processing",
3
- "version": "9.6.0",
3
+ "version": "9.6.1",
4
4
  "description": "Pure functions allowing to process NMR spectra.",
5
5
  "main": "./lib/index.js",
6
6
  "module": "./lib-esm/index.js",
@@ -17,6 +17,7 @@ export type {
17
17
  BaselineAlgorithms,
18
18
  PolynomialOptions,
19
19
  AirplsOptions,
20
+ BaselineCorrectionZone,
20
21
  BaselineCorrectionOptions,
21
22
  } from './data1d/filter1d/baselineCorrection';
22
23
  export type {
@@ -1,4 +1,5 @@
1
1
  import { NmrData1D } from 'cheminfo-types';
2
+
2
3
  import { Filter } from '../../types/Filter';
3
4
  import { Info1D } from '../../types/Info/Info1D';
4
5
  import { Integrals } from '../../types/Integrals';
@@ -1,4 +1,5 @@
1
1
  import { NmrData1D } from 'cheminfo-types';
2
+
2
3
  import { Info1D } from '../../../../types/Info/Info1D';
3
4
  import { FilterDomainUpdateRules } from '../../../FiltersManager';
4
5
  import { Entry1D } from '../../Entry1D';
@@ -1,5 +1,6 @@
1
- import { apodization } from '../../../../apodization/apodization';
2
1
  import { NmrData1D } from 'cheminfo-types';
2
+
3
+ import { apodization } from '../../../../apodization/apodization';
3
4
  import { Info1D } from '../../../../types/Info/Info1D';
4
5
  import { Entry1D } from '../../Entry1D';
5
6
 
@@ -14,14 +14,20 @@ export const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules> = {
14
14
 
15
15
  export type BaselineAlgorithms = 'airpls' | 'polynomial';
16
16
 
17
+ export interface BaselineCorrectionZone {
18
+ from: number;
19
+ to: number;
20
+ id: string;
21
+ }
22
+
17
23
  export interface PolynomialOptions {
18
- zones: Array<{ from: number; to: number; id: string }>;
24
+ zones: BaselineCorrectionZone[];
19
25
  algorithm: 'polynomial';
20
26
  degree: number;
21
27
  }
22
28
 
23
29
  export interface AirplsOptions {
24
- zones: Array<{ from: number; to: number; id: string }>;
30
+ zones: BaselineCorrectionZone[];
25
31
  algorithm: 'airpls';
26
32
  maxIterations: number;
27
33
  tolerance: number;
@@ -1,4 +1,5 @@
1
1
  import { NmrData1D } from 'cheminfo-types';
2
+
2
3
  import { Info1D } from '../../../types/Info/Info1D';
3
4
  import { FilterDomainUpdateRules } from '../../FiltersManager';
4
5
  import { Entry1D } from '../Entry1D';
@@ -1,3 +1,4 @@
1
+ import { NmrData1D } from 'cheminfo-types';
1
2
  import {
2
3
  DataReIm,
3
4
  reimFFT,
@@ -5,7 +6,6 @@ import {
5
6
  xMean,
6
7
  } from 'ml-spectra-processing';
7
8
 
8
- import { NmrData1D } from 'cheminfo-types';
9
9
  import { Info1D } from '../../../types/Info/Info1D';
10
10
  import { FilterDomainUpdateRules } from '../../FiltersManager';
11
11
  import { Entry1D } from '../Entry1D';
@@ -1,3 +1,4 @@
1
+ import { NmrData1D } from 'cheminfo-types';
1
2
  import {
2
3
  reimAbsolute,
3
4
  reimAutoPhaseCorrection,
@@ -5,7 +6,6 @@ import {
5
6
  xEnsureFloat64,
6
7
  } from 'ml-spectra-processing';
7
8
 
8
- import { NmrData1D } from 'cheminfo-types';
9
9
  import { FilterDomainUpdateRules } from '../../FiltersManager';
10
10
  import { Entry1D } from '../Entry1D';
11
11
 
@@ -1,6 +1,6 @@
1
+ import { NmrData1D } from 'cheminfo-types';
1
2
  import { xSequentialFill } from 'ml-spectra-processing';
2
3
 
3
- import { NmrData1D } from 'cheminfo-types';
4
4
  import { Info1D } from '../../../../types/Info/Info1D';
5
5
  import { Entry1D } from '../../Entry1D';
6
6
 
@@ -1,4 +1,5 @@
1
1
  import { NmrData1D } from 'cheminfo-types';
2
+
2
3
  import { Info1D } from '../../../types/Info/Info1D';
3
4
  import { FilterDomainUpdateRules } from '../../FiltersManager';
4
5
  import { Entry1D } from '../Entry1D';
@@ -2,9 +2,11 @@ import { v4 } from '@lukeed/uuid';
2
2
  import { xyIntegration } from 'ml-spectra-processing';
3
3
 
4
4
  import { DatumKind } from '../../../constants/SignalsKinds';
5
+ import { signalMultiplicityPattern } from '../../../signal/signalMultiplicityPattern';
5
6
  import { Range } from '../../../types/Ranges/Ranges';
6
7
  import { Signal1D } from '../../../types/Signals/Signal1D';
7
8
  import { MapOptions, ShiftTarget } from '../../../types/common/MapOptions';
9
+ import { NMRRange } from '../../../xy/NMRRange';
8
10
  import { Entry1D } from '../Entry1D';
9
11
 
10
12
  import { getShiftX } from './getShiftX';
@@ -44,6 +46,7 @@ function getRange(
44
46
  };
45
47
  }
46
48
  }
49
+
47
50
  function getSignalDelta(
48
51
  signal: Signal1D,
49
52
  shiftTarget: ShiftTarget,
@@ -63,8 +66,29 @@ function getSignalDelta(
63
66
  }
64
67
  }
65
68
 
69
+ function nmrRangeToRange(range: NMRRange): Range {
70
+ const { signals = [], integration = 0, ...restRange } = range;
71
+ const newSignals: Signal1D[] = [];
72
+ for (const signal of signals) {
73
+ const { multiplicity, ...restSignal } = signal;
74
+ newSignals.push({
75
+ id: v4(),
76
+ js: [],
77
+ multiplicity: multiplicity || signalMultiplicityPattern(signal),
78
+ ...restSignal,
79
+ });
80
+ }
81
+ return {
82
+ id: v4(),
83
+ integration,
84
+ absolute: integration || 0,
85
+ signals: newSignals,
86
+ ...restRange,
87
+ };
88
+ }
89
+
66
90
  export function mapRanges(
67
- ranges: Range[],
91
+ ranges: Range[] | NMRRange[],
68
92
  spectrum: Entry1D,
69
93
  options: MapOptions = {},
70
94
  ) {
@@ -73,13 +97,14 @@ export function mapRanges(
73
97
  const shiftX = getShiftX(spectrum);
74
98
  const error = getSpectrumErrorValue(spectrum);
75
99
 
100
+ let newRanges = ranges.map(nmrRangeToRange);
76
101
  if (checkIsExisting) {
77
- ranges = ranges.filter(
102
+ newRanges = newRanges.filter(
78
103
  (r) =>
79
104
  (checkIsExisting && !checkRange(r, spectrum, error)) || r.id === 'new',
80
105
  );
81
106
  }
82
- return ranges.map((range) => {
107
+ return newRanges.map((range) => {
83
108
  const rangeBoundary = getRange(range, shiftTarget, shiftX);
84
109
 
85
110
  const absolute = xyIntegration(
@@ -95,6 +120,7 @@ export function mapRanges(
95
120
  ...getSignalDelta(signal, shiftTarget, shiftX),
96
121
  };
97
122
  });
123
+
98
124
  return {
99
125
  ...range,
100
126
  id: range.id || v4(),
package/src/index.ts CHANGED
@@ -28,6 +28,7 @@ export * from './signals/signals2DToZ';
28
28
  export * from './signals/optimizeSignals';
29
29
  export * from './signals/signalsToFID';
30
30
  export * from './signal/signalJoinCouplings';
31
+ export * from './signal/signalMultiplicityPattern';
31
32
 
32
33
  export * from './utilities/resurrect';
33
34
  export * from './utilities/rangeFromSignal';