brukerconverter
Advanced tools
Comparing version 0.1.0 to 0.2.0
{ | ||
"name": "brukerconverter", | ||
"version": "0.0.1", | ||
"main": [ | ||
"dist/brukerconverter.js", | ||
"dist/brukerconverter.min.js" | ||
], | ||
"version": "0.1.1", | ||
"main": "build/brukerconverter.js", | ||
"homepage": "https://github.com/cheminfo-js/brukerconverter", | ||
@@ -13,3 +10,9 @@ "authors": [ | ||
"description": "Parse and convert Bruker raw data", | ||
"main": "build/brukerconverter.js", | ||
<<<<<<< HEAD | ||
"main": [ | ||
"dist/brukerconverter.js", | ||
"dist/brukerconverter.min.js" | ||
] | ||
======= | ||
>>>>>>> origin/master | ||
"moduleType": [ | ||
@@ -30,2 +33,2 @@ "amd", | ||
] | ||
} | ||
} |
{ | ||
"name": "brukerconverter", | ||
"version": "0.1.0", | ||
"version": "0.2.0", | ||
"description": "Parse and convert Bruker raw data", | ||
"main": "./src/index.js", | ||
"main": "./src/brukerconverter.js", | ||
"directories": { | ||
@@ -12,3 +12,3 @@ "lib": "src", | ||
"test": "mocha --require should --reporter mocha-better-spec-reporter --recursive -t 10000", | ||
"build":"cheminfo build" | ||
"build": "cheminfo build --no-uglify --root BrukerConverter" | ||
}, | ||
@@ -29,3 +29,3 @@ "keywords": [ | ||
"should": "^8.2.2", | ||
"cheminfo-tools":"1.3.4" | ||
"cheminfo-tools": "1.3.4" | ||
}, | ||
@@ -32,0 +32,0 @@ "dependencies": { |
@@ -11,6 +11,2 @@ "use strict"; | ||
module.exports = { | ||
convert: readZIP, | ||
test: convert | ||
}; | ||
@@ -174,10 +170,10 @@ function readZIP(zipFile, options) { | ||
var toSave = { | ||
DataType : "TYPE_NMR_SPECTRUM", | ||
DataClass : "DATACLASS_XY", | ||
FirstX : offset, | ||
LastX : offset - SW_p / SF, | ||
XUnits : "PPM", | ||
YUnits : "Arbitrary", | ||
X : new Array(td), | ||
Y : new Array(td) | ||
dataType : "NMR Spectrum", | ||
dataTable : "(X++(R..R))", | ||
firstX : offset, | ||
lastX : offset - SW_p / SF, | ||
xUnit : "PPM", | ||
yUnit : "Arbitrary", | ||
data:[{x:new Array(td),y:new Array(td)}] | ||
}; | ||
@@ -188,4 +184,4 @@ | ||
for(var k = 0; k < td - 1; ++k) { | ||
toSave.X[k] = x; | ||
toSave.Y[k] = file.readInt32(); | ||
toSave.data[0].x[k] = x; | ||
toSave.data[0].y[k] = file.readInt32(); | ||
x += SF; | ||
@@ -195,4 +191,4 @@ } | ||
for(k = td - 1; k > 0; --k) { | ||
toSave.X[k] = x; | ||
toSave.Y[k] = file.readInt32(); | ||
toSave.data[0].x[k] = x; | ||
toSave.data[0].y[k] = file.readInt32(); | ||
x += SF; | ||
@@ -240,12 +236,11 @@ } | ||
var toSave = { | ||
DataType : "TYPE_NMR_FID", | ||
DataClass : "DATACLASS_XY", | ||
NbPoints : td, | ||
FirstX : 0, | ||
LastX : AQ, | ||
Nucleus : spectra.info["$NUC1"] ? spectra.info["$NUC1"] : undefined, | ||
XUnits : "Hz", | ||
YUnits : "Arbitrary", | ||
X : new Array(td), | ||
Y : new Array(td) | ||
dataType : "NMR FID", | ||
dataTable : "(X++(R..R))", | ||
nbPoints : td, | ||
firstX : 0, | ||
lastX : AQ, | ||
nucleus : spectra.info["$NUC1"] ? spectra.info["$NUC1"] : undefined, | ||
xUnit : "Hz", | ||
yUnit : "Arbitrary", | ||
data:[{x:new Array(td),y:new Array(td)}] | ||
}; | ||
@@ -258,14 +253,19 @@ spectra.spectra.push(toSave); | ||
for(i = 0; file.available(8); ++i, x += DW) { | ||
spectra.spectra[0].Y[i] = file.readInt32(); | ||
spectra.spectra[0].X[i] = x; | ||
spectra.spectra[1].Y[i] = file.readInt32(); | ||
spectra.spectra[1].X[i] = x; | ||
spectra.spectra[0].data[0].y[i] = file.readInt32(); | ||
spectra.spectra[0].data[0].x[i] = x; | ||
spectra.spectra[1].data[0].y[i] = file.readInt32(); | ||
spectra.spectra[1].data[0].x[i] = x; | ||
} | ||
for(; i < td; ++i, x += DW) { | ||
spectra.spectra[0].Y[i] = 0; | ||
spectra.spectra[0].X[i] = x; | ||
spectra.spectra[1].Y[i] = 0; | ||
spectra.spectra[1].X[i] = x; | ||
spectra.spectra[0].data[0].y[i] = 0; | ||
spectra.spectra[0].data[0].x[i] = x; | ||
spectra.spectra[1].data[0].y[i] = 0; | ||
spectra.spectra[1].data[0].x[i] = x; | ||
} | ||
} | ||
} | ||
module.exports = { | ||
convertZip: readZIP, | ||
converFolder: convert | ||
}; |
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
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