nmr-processing 7.4.0 → 7.4.1
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/lib/constants/gyromagneticRatio.d.ts +1 -1
- package/lib/constants/gyromagneticRatio.js +2 -2
- package/lib/constants/gyromagneticRatio.js.map +1 -1
- package/lib/utilities/getFrequency.js +3 -3
- package/lib/utilities/getFrequency.js.map +1 -1
- package/lib-esm/constants/gyromagneticRatio.js +1 -1
- package/lib-esm/constants/gyromagneticRatio.js.map +1 -1
- package/lib-esm/utilities/getFrequency.js +4 -4
- package/lib-esm/utilities/getFrequency.js.map +1 -1
- package/package.json +1 -1
- package/src/constants/gyromagneticRatio.ts +1 -1
- package/src/utilities/getFrequency.ts +4 -4
|
@@ -2,5 +2,5 @@ export declare type Nuclei = '1H' | '2H' | '3H' | '3He' | '7Li' | '13C' | '14N'
|
|
|
2
2
|
declare type GyromagneticRatio = {
|
|
3
3
|
[key in Nuclei]: number;
|
|
4
4
|
};
|
|
5
|
-
export declare const
|
|
5
|
+
export declare const gyromagneticRatio: GyromagneticRatio;
|
|
6
6
|
export {};
|
|
@@ -2,8 +2,8 @@
|
|
|
2
2
|
// sources:
|
|
3
3
|
// https://en.wikipedia.org/wiki/Gyromagnetic_ratio
|
|
4
4
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
5
|
-
exports.
|
|
6
|
-
exports.
|
|
5
|
+
exports.gyromagneticRatio = void 0;
|
|
6
|
+
exports.gyromagneticRatio = {
|
|
7
7
|
'1H': 267.52218744e6,
|
|
8
8
|
'2H': 41.065e6,
|
|
9
9
|
'3H': 285.3508e6,
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"gyromagneticRatio.js","sourceRoot":"","sources":["../../src/constants/gyromagneticRatio.ts"],"names":[],"mappings":";AAAA,WAAW;AACX,mDAAmD;;;AA4BtC,QAAA,
|
|
1
|
+
{"version":3,"file":"gyromagneticRatio.js","sourceRoot":"","sources":["../../src/constants/gyromagneticRatio.ts"],"names":[],"mappings":";AAAA,WAAW;AACX,mDAAmD;;;AA4BtC,QAAA,iBAAiB,GAAsB;IAClD,IAAI,EAAE,cAAc;IACpB,IAAI,EAAE,QAAQ;IACd,IAAI,EAAE,UAAU;IAChB,KAAK,EAAE,CAAC,SAAS;IACjB,KAAK,EAAE,SAAS;IAChB,KAAK,EAAE,UAAU;IACjB,KAAK,EAAE,QAAQ;IACf,KAAK,EAAE,CAAC,QAAQ;IAChB,KAAK,EAAE,CAAC,QAAQ;IAChB,KAAK,EAAE,SAAS;IAChB,MAAM,EAAE,QAAQ;IAChB,MAAM,EAAE,QAAQ;IAChB,MAAM,EAAE,CAAC,OAAO;IAChB,KAAK,EAAE,SAAS;IAChB,MAAM,EAAE,OAAO;IACf,MAAM,EAAE,QAAQ;IAChB,MAAM,EAAE,QAAQ;IAChB,OAAO,EAAE,CAAC,QAAQ;CACnB,CAAC"}
|
|
@@ -12,14 +12,14 @@ function getFrequency(
|
|
|
12
12
|
nucleus, observedNucleusData) {
|
|
13
13
|
const { nucleus: obsNucleus, frequency } = observedNucleusData;
|
|
14
14
|
checkExistence(nucleus, obsNucleus);
|
|
15
|
-
return ((frequency * gyromagneticRatio_1.
|
|
16
|
-
gyromagneticRatio_1.
|
|
15
|
+
return ((frequency * gyromagneticRatio_1.gyromagneticRatio[nucleus]) /
|
|
16
|
+
gyromagneticRatio_1.gyromagneticRatio[obsNucleus]);
|
|
17
17
|
}
|
|
18
18
|
exports.getFrequency = getFrequency;
|
|
19
19
|
function checkExistence(...nucleus) {
|
|
20
20
|
let nuclei = [];
|
|
21
21
|
for (const n of nucleus) {
|
|
22
|
-
if (!(n in gyromagneticRatio_1.
|
|
22
|
+
if (!(n in gyromagneticRatio_1.gyromagneticRatio)) {
|
|
23
23
|
nuclei.push(n);
|
|
24
24
|
}
|
|
25
25
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"getFrequency.js","sourceRoot":"","sources":["../../src/utilities/getFrequency.ts"],"names":[],"mappings":";;;AAAA,
|
|
1
|
+
{"version":3,"file":"getFrequency.js","sourceRoot":"","sources":["../../src/utilities/getFrequency.ts"],"names":[],"mappings":";;;AAAA,sEAA2E;AAgB3E;;GAEG;AACH,SAAgB,YAAY;AAC1B;;GAEG;AACH,OAAgB,EAChB,mBAAwC;IAExC,MAAM,EAAE,OAAO,EAAE,UAAU,EAAE,SAAS,EAAE,GAAG,mBAAmB,CAAC;IAE/D,cAAc,CAAC,OAAO,EAAE,UAAU,CAAC,CAAC;IAEpC,OAAO,CACL,CAAC,SAAS,GAAG,qCAAiB,CAAC,OAAiB,CAAC,CAAC;QAClD,qCAAiB,CAAC,UAAoB,CAAC,CACxC,CAAC;AACJ,CAAC;AAfD,oCAeC;AAED,SAAS,cAAc,CAAC,GAAG,OAAkB;IAC3C,IAAI,MAAM,GAAa,EAAE,CAAC;IAC1B,KAAK,MAAM,CAAC,IAAI,OAAO,EAAE;QACvB,IAAI,CAAC,CAAC,CAAC,IAAI,qCAAiB,CAAC,EAAE;YAC7B,MAAM,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;SAChB;KACF;IACD,IAAI,MAAM,CAAC,MAAM,KAAK,CAAC,EAAE;QACvB,MAAM,IAAI,KAAK,CAAC,GAAG,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,mBAAmB,CAAC,CAAC;KAC3D;AACH,CAAC"}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"gyromagneticRatio.js","sourceRoot":"","sources":["../../src/constants/gyromagneticRatio.ts"],"names":[],"mappings":"AAAA,WAAW;AACX,mDAAmD;AA4BnD,MAAM,CAAC,MAAM,
|
|
1
|
+
{"version":3,"file":"gyromagneticRatio.js","sourceRoot":"","sources":["../../src/constants/gyromagneticRatio.ts"],"names":[],"mappings":"AAAA,WAAW;AACX,mDAAmD;AA4BnD,MAAM,CAAC,MAAM,iBAAiB,GAAsB;IAClD,IAAI,EAAE,cAAc;IACpB,IAAI,EAAE,QAAQ;IACd,IAAI,EAAE,UAAU;IAChB,KAAK,EAAE,CAAC,SAAS;IACjB,KAAK,EAAE,SAAS;IAChB,KAAK,EAAE,UAAU;IACjB,KAAK,EAAE,QAAQ;IACf,KAAK,EAAE,CAAC,QAAQ;IAChB,KAAK,EAAE,CAAC,QAAQ;IAChB,KAAK,EAAE,SAAS;IAChB,MAAM,EAAE,QAAQ;IAChB,MAAM,EAAE,QAAQ;IAChB,MAAM,EAAE,CAAC,OAAO;IAChB,KAAK,EAAE,SAAS;IAChB,MAAM,EAAE,OAAO;IACf,MAAM,EAAE,QAAQ;IAChB,MAAM,EAAE,QAAQ;IAChB,OAAO,EAAE,CAAC,QAAQ;CACnB,CAAC"}
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
import {
|
|
1
|
+
import { gyromagneticRatio } from '../constants/gyromagneticRatio';
|
|
2
2
|
/**
|
|
3
3
|
* calculate the frequency of a nucleus with respect to a reference nucleus
|
|
4
4
|
*/
|
|
@@ -9,13 +9,13 @@ export function getFrequency(
|
|
|
9
9
|
nucleus, observedNucleusData) {
|
|
10
10
|
const { nucleus: obsNucleus, frequency } = observedNucleusData;
|
|
11
11
|
checkExistence(nucleus, obsNucleus);
|
|
12
|
-
return ((frequency *
|
|
13
|
-
|
|
12
|
+
return ((frequency * gyromagneticRatio[nucleus]) /
|
|
13
|
+
gyromagneticRatio[obsNucleus]);
|
|
14
14
|
}
|
|
15
15
|
function checkExistence(...nucleus) {
|
|
16
16
|
let nuclei = [];
|
|
17
17
|
for (const n of nucleus) {
|
|
18
|
-
if (!(n in
|
|
18
|
+
if (!(n in gyromagneticRatio)) {
|
|
19
19
|
nuclei.push(n);
|
|
20
20
|
}
|
|
21
21
|
}
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"getFrequency.js","sourceRoot":"","sources":["../../src/utilities/getFrequency.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,
|
|
1
|
+
{"version":3,"file":"getFrequency.js","sourceRoot":"","sources":["../../src/utilities/getFrequency.ts"],"names":[],"mappings":"AAAA,OAAO,EAAE,iBAAiB,EAAU,MAAM,gCAAgC,CAAC;AAgB3E;;GAEG;AACH,MAAM,UAAU,YAAY;AAC1B;;GAEG;AACH,OAAgB,EAChB,mBAAwC;IAExC,MAAM,EAAE,OAAO,EAAE,UAAU,EAAE,SAAS,EAAE,GAAG,mBAAmB,CAAC;IAE/D,cAAc,CAAC,OAAO,EAAE,UAAU,CAAC,CAAC;IAEpC,OAAO,CACL,CAAC,SAAS,GAAG,iBAAiB,CAAC,OAAiB,CAAC,CAAC;QAClD,iBAAiB,CAAC,UAAoB,CAAC,CACxC,CAAC;AACJ,CAAC;AAED,SAAS,cAAc,CAAC,GAAG,OAAkB;IAC3C,IAAI,MAAM,GAAa,EAAE,CAAC;IAC1B,KAAK,MAAM,CAAC,IAAI,OAAO,EAAE;QACvB,IAAI,CAAC,CAAC,CAAC,IAAI,iBAAiB,CAAC,EAAE;YAC7B,MAAM,CAAC,IAAI,CAAC,CAAC,CAAC,CAAC;SAChB;KACF;IACD,IAAI,MAAM,CAAC,MAAM,KAAK,CAAC,EAAE;QACvB,MAAM,IAAI,KAAK,CAAC,GAAG,MAAM,CAAC,IAAI,CAAC,KAAK,CAAC,mBAAmB,CAAC,CAAC;KAC3D;AACH,CAAC"}
|
package/package.json
CHANGED
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
import {
|
|
1
|
+
import { gyromagneticRatio, Nuclei } from '../constants/gyromagneticRatio';
|
|
2
2
|
|
|
3
3
|
export interface ObjervedNucleusData {
|
|
4
4
|
/**
|
|
@@ -29,15 +29,15 @@ export function getFrequency(
|
|
|
29
29
|
checkExistence(nucleus, obsNucleus);
|
|
30
30
|
|
|
31
31
|
return (
|
|
32
|
-
(frequency *
|
|
33
|
-
|
|
32
|
+
(frequency * gyromagneticRatio[nucleus as Nuclei]) /
|
|
33
|
+
gyromagneticRatio[obsNucleus as Nuclei]
|
|
34
34
|
);
|
|
35
35
|
}
|
|
36
36
|
|
|
37
37
|
function checkExistence(...nucleus: Nucleus[]) {
|
|
38
38
|
let nuclei: string[] = [];
|
|
39
39
|
for (const n of nucleus) {
|
|
40
|
-
if (!(n in
|
|
40
|
+
if (!(n in gyromagneticRatio)) {
|
|
41
41
|
nuclei.push(n);
|
|
42
42
|
}
|
|
43
43
|
}
|