We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
1 parent 67c17ac commit 3d098eeCopy full SHA for 3d098ee
app/scripts/nmr-cli/src/prediction/parsePredictionCommand.ts
@@ -30,7 +30,7 @@ const predictionOptions: { [key in keyof GenerateSpectrumOptions]: Options } = {
30
nbPoints: {
31
type: 'number',
32
description: 'Number of points',
33
- default: 1024,
+ default: 2 ** 18, // 256k points
34
},
35
lineWidth: {
36
@@ -146,7 +146,7 @@ async function predictNMR(options: PredictionArgs): Promise<void> {
146
solvent,
147
from,
148
to,
149
- nbPoints = 1024,
+ nbPoints = 2 ** 18, // 256K
150
frequency = 400,
151
lineWidth = 1,
152
tolerance = 0.001,
0 commit comments