nmr-processing 7.1.0 → 7.4.0

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Files changed (137) hide show
  1. package/lib/assignment/get13CAssignments.d.ts +3 -3
  2. package/lib/assignment/get13CAssignments.js.map +1 -1
  3. package/lib/assignment/get1HAssignments.d.ts +3 -3
  4. package/lib/assignment/get1HAssignments.js.map +1 -1
  5. package/lib/assignment/getAssignments.d.ts +81 -0
  6. package/lib/assignment/getAssignments.js +44 -0
  7. package/lib/assignment/getAssignments.js.map +1 -0
  8. package/lib/assignment/utils/buildAssignments.d.ts +4 -4
  9. package/lib/assignment/utils/buildAssignments.js.map +1 -1
  10. package/lib/assignment/utils/createMapPossibleAssignments.d.ts +2 -2
  11. package/lib/assignment/utils/exploreTreeRec.d.ts +3 -3
  12. package/lib/assignment/utils/exploreTreeRec.js.map +1 -1
  13. package/lib/assignment/utils/getAssignment/buildAssignments.d.ts +72 -0
  14. package/lib/assignment/utils/getAssignment/buildAssignments.js +205 -0
  15. package/lib/assignment/utils/getAssignment/buildAssignments.js.map +1 -0
  16. package/lib/assignment/utils/getAssignment/checkIDs.d.ts +23 -0
  17. package/lib/assignment/utils/getAssignment/checkIDs.js +57 -0
  18. package/lib/assignment/utils/getAssignment/checkIDs.js.map +1 -0
  19. package/lib/assignment/utils/getAssignment/createMapPossibleAssignment.d.ts +15 -0
  20. package/lib/assignment/utils/getAssignment/createMapPossibleAssignment.js +55 -0
  21. package/lib/assignment/utils/getAssignment/createMapPossibleAssignment.js.map +1 -0
  22. package/lib/assignment/utils/getAssignment/exploreTree.d.ts +22 -0
  23. package/lib/assignment/utils/getAssignment/exploreTree.js +93 -0
  24. package/lib/assignment/utils/getAssignment/exploreTree.js.map +1 -0
  25. package/lib/assignment/utils/getAssignment/formatData.d.ts +14 -0
  26. package/lib/assignment/utils/getAssignment/formatData.js +20 -0
  27. package/lib/assignment/utils/getAssignment/formatData.js.map +1 -0
  28. package/lib/assignment/utils/getAssignment/getIntegrationOfAttachedProtons.d.ts +3 -0
  29. package/lib/assignment/utils/getAssignment/getIntegrationOfAttachedProtons.js +14 -0
  30. package/lib/assignment/utils/getAssignment/getIntegrationOfAttachedProtons.js.map +1 -0
  31. package/lib/assignment/utils/getAssignment/getTargetsAndCorrelations.d.ts +18 -0
  32. package/lib/assignment/utils/getAssignment/getTargetsAndCorrelations.js +37 -0
  33. package/lib/assignment/utils/getAssignment/getTargetsAndCorrelations.js.map +1 -0
  34. package/lib/assignment/utils/getAssignment/getWorkFlow.d.ts +19 -0
  35. package/lib/assignment/utils/getAssignment/getWorkFlow.js +52 -0
  36. package/lib/assignment/utils/getAssignment/getWorkFlow.js.map +1 -0
  37. package/lib/assignment/utils/getAssignment/groupCarbonTargetByIntegrationZone.d.ts +7 -0
  38. package/lib/assignment/utils/getAssignment/groupCarbonTargetByIntegrationZone.js +43 -0
  39. package/lib/assignment/utils/getAssignment/groupCarbonTargetByIntegrationZone.js.map +1 -0
  40. package/lib/assignment/utils/getAssignment/isSpectraData1D.d.ts +2 -0
  41. package/lib/assignment/utils/getAssignment/isSpectraData1D.js +8 -0
  42. package/lib/assignment/utils/getAssignment/isSpectraData1D.js.map +1 -0
  43. package/lib/assignment/utils/getAssignment/partialScore.d.ts +13 -0
  44. package/lib/assignment/utils/getAssignment/partialScore.js +221 -0
  45. package/lib/assignment/utils/getAssignment/partialScore.js.map +1 -0
  46. package/lib/assignment/utils/getAssignment/searchIndices.d.ts +6 -0
  47. package/lib/assignment/utils/getAssignment/searchIndices.js +21 -0
  48. package/lib/assignment/utils/getAssignment/searchIndices.js.map +1 -0
  49. package/lib/assignment/utils/partialScore.d.ts +2 -2
  50. package/lib/constants/gyromagneticRatio.d.ts +5 -19
  51. package/lib/constants/gyromagneticRatio.js +2 -3
  52. package/lib/constants/gyromagneticRatio.js.map +1 -1
  53. package/lib/index.d.ts +2 -0
  54. package/lib/index.js +2 -0
  55. package/lib/index.js.map +1 -1
  56. package/lib/peaks/peaksToRanges.js +1 -0
  57. package/lib/peaks/peaksToRanges.js.map +1 -1
  58. package/lib/prediction/utils/predict2D.d.ts +0 -2
  59. package/lib/prediction/utils/predict2D.js +13 -12
  60. package/lib/prediction/utils/predict2D.js.map +1 -1
  61. package/lib/signals/signals2DToZ.d.ts +1 -0
  62. package/lib/signals/signals2DToZ.js +19 -4
  63. package/lib/signals/signals2DToZ.js.map +1 -1
  64. package/lib/utilities/getFrequency.d.ts +21 -0
  65. package/lib/utilities/getFrequency.js +30 -0
  66. package/lib/utilities/getFrequency.js.map +1 -0
  67. package/lib-esm/assignment/get13CAssignments.js.map +1 -1
  68. package/lib-esm/assignment/get1HAssignments.js.map +1 -1
  69. package/lib-esm/assignment/getAssignments.js +37 -0
  70. package/lib-esm/assignment/getAssignments.js.map +1 -0
  71. package/lib-esm/assignment/utils/buildAssignments.js.map +1 -1
  72. package/lib-esm/assignment/utils/exploreTreeRec.js.map +1 -1
  73. package/lib-esm/assignment/utils/getAssignment/buildAssignments.js +198 -0
  74. package/lib-esm/assignment/utils/getAssignment/buildAssignments.js.map +1 -0
  75. package/lib-esm/assignment/utils/getAssignment/checkIDs.js +48 -0
  76. package/lib-esm/assignment/utils/getAssignment/checkIDs.js.map +1 -0
  77. package/lib-esm/assignment/utils/getAssignment/createMapPossibleAssignment.js +51 -0
  78. package/lib-esm/assignment/utils/getAssignment/createMapPossibleAssignment.js.map +1 -0
  79. package/lib-esm/assignment/utils/getAssignment/exploreTree.js +89 -0
  80. package/lib-esm/assignment/utils/getAssignment/exploreTree.js.map +1 -0
  81. package/lib-esm/assignment/utils/getAssignment/formatData.js +16 -0
  82. package/lib-esm/assignment/utils/getAssignment/formatData.js.map +1 -0
  83. package/lib-esm/assignment/utils/getAssignment/getIntegrationOfAttachedProtons.js +10 -0
  84. package/lib-esm/assignment/utils/getAssignment/getIntegrationOfAttachedProtons.js.map +1 -0
  85. package/lib-esm/assignment/utils/getAssignment/getTargetsAndCorrelations.js +33 -0
  86. package/lib-esm/assignment/utils/getAssignment/getTargetsAndCorrelations.js.map +1 -0
  87. package/lib-esm/assignment/utils/getAssignment/getWorkFlow.js +50 -0
  88. package/lib-esm/assignment/utils/getAssignment/getWorkFlow.js.map +1 -0
  89. package/lib-esm/assignment/utils/getAssignment/groupCarbonTargetByIntegrationZone.js +41 -0
  90. package/lib-esm/assignment/utils/getAssignment/groupCarbonTargetByIntegrationZone.js.map +1 -0
  91. package/lib-esm/assignment/utils/getAssignment/isSpectraData1D.js +4 -0
  92. package/lib-esm/assignment/utils/getAssignment/isSpectraData1D.js.map +1 -0
  93. package/lib-esm/assignment/utils/getAssignment/partialScore.js +214 -0
  94. package/lib-esm/assignment/utils/getAssignment/partialScore.js.map +1 -0
  95. package/lib-esm/assignment/utils/getAssignment/searchIndices.js +17 -0
  96. package/lib-esm/assignment/utils/getAssignment/searchIndices.js.map +1 -0
  97. package/lib-esm/constants/gyromagneticRatio.js +1 -2
  98. package/lib-esm/constants/gyromagneticRatio.js.map +1 -1
  99. package/lib-esm/index.js +2 -0
  100. package/lib-esm/index.js.map +1 -1
  101. package/lib-esm/peaks/peaksToRanges.js +1 -0
  102. package/lib-esm/peaks/peaksToRanges.js.map +1 -1
  103. package/lib-esm/prediction/utils/predict2D.js +13 -12
  104. package/lib-esm/prediction/utils/predict2D.js.map +1 -1
  105. package/lib-esm/signals/signals2DToZ.js +19 -4
  106. package/lib-esm/signals/signals2DToZ.js.map +1 -1
  107. package/lib-esm/utilities/getFrequency.js +26 -0
  108. package/lib-esm/utilities/getFrequency.js.map +1 -0
  109. package/package.json +10 -9
  110. package/src/assignment/get13CAssignments.ts +2 -2
  111. package/src/assignment/get1HAssignments.ts +2 -2
  112. package/src/assignment/getAssignments.ts +149 -0
  113. package/src/assignment/utils/buildAssignments.ts +4 -4
  114. package/src/assignment/utils/createMapPossibleAssignments.ts +2 -2
  115. package/src/assignment/utils/exploreTreeRec.ts +5 -5
  116. package/src/assignment/utils/getAssignment/buildAssignments.ts +339 -0
  117. package/src/assignment/utils/getAssignment/checkIDs.ts +76 -0
  118. package/src/assignment/utils/getAssignment/createMapPossibleAssignment.ts +85 -0
  119. package/src/assignment/utils/getAssignment/data/correlations.js +713 -0
  120. package/src/assignment/utils/getAssignment/data/predictions.js +34 -0
  121. package/src/assignment/utils/getAssignment/exploreTree.ts +171 -0
  122. package/src/assignment/utils/getAssignment/formatData.ts +35 -0
  123. package/src/assignment/utils/getAssignment/getIntegrationOfAttachedProtons.ts +16 -0
  124. package/src/assignment/utils/getAssignment/getTargetsAndCorrelations.ts +63 -0
  125. package/src/assignment/utils/getAssignment/getWorkFlow.ts +72 -0
  126. package/src/assignment/utils/getAssignment/groupCarbonTargetByIntegrationZone.ts +55 -0
  127. package/src/assignment/utils/getAssignment/isSpectraData1D.ts +7 -0
  128. package/src/assignment/utils/getAssignment/partialScore.ts +308 -0
  129. package/src/assignment/utils/getAssignment/searchIndices.ts +19 -0
  130. package/src/assignment/utils/partialScore.ts +2 -2
  131. package/src/constants/gyromagneticRatio.ts +25 -1
  132. package/src/index.ts +2 -0
  133. package/src/ml-tree-set.d.ts +1 -1
  134. package/src/peaks/peaksToRanges.ts +1 -0
  135. package/src/prediction/utils/predict2D.ts +16 -16
  136. package/src/signals/signals2DToZ.ts +29 -5
  137. package/src/utilities/getFrequency.ts +47 -0
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+ export default correlations;