nmr-processing
Advanced tools
Comparing version 4.0.0 to 5.0.0
# Changelog | ||
## [5.0.0](https://www.github.com/cheminfo/nmr-processing/compare/v4.0.0...v5.0.0) (2021-11-26) | ||
### ⚠ BREAKING CHANGES | ||
* xyzAutoPeaksPicking change structure NMRSignal2D | ||
### Features | ||
* xyzAutoPeaksPicking change structure NMRSignal2D ([bc5192f](https://www.github.com/cheminfo/nmr-processing/commit/bc5192f1155743c225b92353c2750519a8eaf1ab)) | ||
## [4.0.0](https://www.github.com/cheminfo/nmr-processing/compare/v3.4.1...v4.0.0) (2021-11-23) | ||
@@ -4,0 +15,0 @@ |
@@ -169,4 +169,6 @@ import { Matrix } from 'ml-matrix'; | ||
} | ||
signal.x.fromTo = { from: minMax1[0], to: minMax1[1] }; | ||
signal.y.fromTo = { from: minMax2[0], to: minMax2[1] }; | ||
signal.x.from = minMax1[0]; | ||
signal.y.from = minMax2[0]; | ||
signal.x.to = minMax1[1]; | ||
signal.y.to = minMax2[1]; | ||
signal.x.delta /= sumZ; | ||
@@ -173,0 +175,0 @@ signal.y.delta /= sumZ; |
@@ -8,6 +8,4 @@ import type { MPFPeak } from './MPFPeak'; | ||
diaIDs?: string[]; | ||
fromTo?: { | ||
from: number; | ||
to: number; | ||
}; | ||
from: number; | ||
to: number; | ||
} | ||
@@ -14,0 +12,0 @@ export interface NMRSignal2D { |
@@ -195,4 +195,6 @@ "use strict"; | ||
} | ||
signal.x.fromTo = { from: minMax1[0], to: minMax1[1] }; | ||
signal.y.fromTo = { from: minMax2[0], to: minMax2[1] }; | ||
signal.x.from = minMax1[0]; | ||
signal.y.from = minMax2[0]; | ||
signal.x.to = minMax1[1]; | ||
signal.y.to = minMax2[1]; | ||
signal.x.delta /= sumZ; | ||
@@ -199,0 +201,0 @@ signal.y.delta /= sumZ; |
{ | ||
"name": "nmr-processing", | ||
"version": "4.0.0", | ||
"version": "5.0.0", | ||
"description": "Pure functions allowing to process NMR spectra.", | ||
@@ -5,0 +5,0 @@ "main": "./lib/index.js", |
@@ -9,6 +9,4 @@ import type { MPFPeak } from './MPFPeak'; | ||
diaIDs?: string[]; | ||
fromTo?: { | ||
from: number; | ||
to: number | ||
}; | ||
from: number; | ||
to: number; | ||
} | ||
@@ -15,0 +13,0 @@ export interface NMRSignal2D { |
@@ -312,4 +312,6 @@ import { Matrix } from 'ml-matrix'; | ||
signal.x.fromTo = { from: minMax1[0], to: minMax1[1] }; | ||
signal.y.fromTo = { from: minMax2[0], to: minMax2[1] }; | ||
signal.x.from = minMax1[0]; | ||
signal.y.from = minMax2[0]; | ||
signal.x.to = minMax1[1]; | ||
signal.y.to = minMax2[1]; | ||
signal.x.delta /= sumZ; | ||
@@ -316,0 +318,0 @@ signal.y.delta /= sumZ; |
Sorry, the diff of this file is not supported yet
Sorry, the diff of this file is not supported yet
License Policy Violation
LicenseThis package is not allowed per your license policy. Review the package's license to ensure compliance.
Found 1 instance in 1 package
License Policy Violation
LicenseThis package is not allowed per your license policy. Review the package's license to ensure compliance.
Found 1 instance in 1 package
4016947
111424