HP Data Explorer 4 Series manuály

Uživatelské manuály a uživatelské příručky pro Software HP Data Explorer 4 Series.
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Hp Data Explorer 4 Series Uživatelský manuál (447 strany)


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Tabulka s obsahem

Data Explorer

1

Software

1

Data Explorer

5

Software User’s Guide v

5

Software User’s Guide vii

7

Chapter 9 Troubleshooting

8

(Visual Basic Macros)

9

Table of Contents

10

How to Use This Guide

11

Notes, Cautions

13

Warnings, and

13

Send us your

14

1 Data Explorer

15

1.1 Overview

16

Starting and

17

1-4 Applied Biosystems

18

1.2 File Formats and Types

19

1-6 Applied Biosystems

20

File Formats and Types

21

Software User’s Guide 1-7

21

Additional files

22

Software User’s Guide 1-9

23

1-10 Applied Biosystems

24

1.3 Parts of the

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Data Explorer Window

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Software User’s Guide 1-13

27

Context-sensitive

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Output window

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1.4 Customizing the

31

1-18 Applied Biosystems

32

Software User’s Guide 1-19

33

Opening

34

Applying a .SET

34

1.4.3 Customizing Toolbars

35

Undocking

36

1.5 Setting Graphic Options

37

Accessing

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Setting Graphic Options

39

Software User’s Guide 1-25

39

Setting line

40

Setting data

41

Setting traces in

42

Line or Vertical

42

Bar mode

42

Setting graphic

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Software User’s Guide 1-29

43

1.6 Managing Files

44

Managing Files

45

Software User’s Guide 1-31

45

Viewing file

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Searching file

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1.6.2 Converting Data from

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1.6.3 Converting to and

48

Exporting ASCII Data

48

Importing a Trace

49

Exporting .BIC

50

.MSM, and .CAL

50

Software User’s Guide 1-37

51

Saving .LBS

52

Copy displayed

53

1-40 Applied Biosystems

54

Software User’s Guide 1-41

55

1-42 Applied Biosystems

56

2 Using Chromatogram

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2.1.1 Opening Data Files

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2-4 Applied Biosystems

60

Software User’s Guide 2-5

61

Software User’s Guide 2-7

63

Using Activate

64

Software User’s Guide 2-9

65

2.1.6 Closing Data Files

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Adjusting the Display Range

67

Software User’s Guide 2-11

67

2-12 Applied Biosystems

68

2.3 Organizing Windows

69

2.4 Manipulating Traces

70

2.4.2 Duplicating a Trace

71

2.4.4 Adding Traces from

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Setting the

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Replace mode

73

2-18 Applied Biosystems

74

Manipulating Traces

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Software User’s Guide 2-19

75

2-20 Applied Biosystems

76

2.4.5 Removing Traces

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(Processing History)

78

History options

79

2.4.8 Overlaying Traces

80

Overlaying traces

81

2-26 Applied Biosystems

82

Software User’s Guide 2-27

83

2.4.9 Annotating Traces

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Annotating the

85

2.4.10 Viewing Trace Labels

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Spectrum trace

87

2-32 Applied Biosystems

88

2.4.11 Printing Traces

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2-34 Applied Biosystems

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Dedicating a

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2-36 Applied Biosystems

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2.5.2 Copying Traces from

93

2.6 Saving, Opening, and

94

Deleting .DAT Results

94

2.7 Exporting, Opening, and

95

Files (Mariner Data Only)

95

.SPC Results Files

96

Deleting results

97

2-42 Applied Biosystems

98

3 Peak Detection

99

3.1 Overview

100

3.1.2 The Resolution-Based

101

Peak Detection Routine

101

3-4 Applied Biosystems

102

Voyager data

103

Overlapping peak

103

PSD peak

103

3.2 Peak Detection

104

Peak Detection

105

Software User’s Guide 3-7

105

3-8 Applied Biosystems

106

Software User’s Guide 3-9

107

3-10 Applied Biosystems

108

Software User’s Guide 3-11

109

3-12 Applied Biosystems

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Setting Basic

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Settings

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(spectrum data)

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3-14 Applied Biosystems

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Software User’s Guide 3-15

113

Setting Peak

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Processing

114

(spectrum data

114

Setting Advanced

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Resetting Basic

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3.2.4 Peak Detection

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Parameter Descriptions

117

Continued

118

Software User’s Guide 3-21

119

Software User’s Guide 3-25

123

Software User’s Guide 3-27

125

Software User’s Guide 3-31

129

3.2.5 Charge State

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Determination and Examples

130

Max Charge State

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3-34 Applied Biosystems

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Max Isotope #

133

Effect of Minimum

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Intensity

134

Charge state

134

3.3 Peak List

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Contents

136

Chromatogram

136

Procedure To insert peaks:

137

3.3.3 Saving the Peak List

138

Importing and

139

3.3.4 Sorting, Filtering

140

Peak List

141

Software User’s Guide 3-43

141

Printing

142

Deleting items

142

3.4 Deisotoping a Spectrum

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3-46 Applied Biosystems

144

Deisotoping a Spectrum

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Software User’s Guide 3-47

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Using the

146

Deisotope

146

Software User’s Guide 3-49

147

3-50 Applied Biosystems

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Returning to the

149

3.5 Peak Labeling

150

3.5.1 Charge State Labels

151

3.5.2 Setting Chromatogram

152

Peak Labeling

153

Software User’s Guide 3-55

153

3-56 Applied Biosystems

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Software User’s Guide 3-57

155

3-58 Applied Biosystems

156

Labels not

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Charge state

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Software User’s Guide 3-61

159

3-62 Applied Biosystems

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Software User’s Guide 3-63

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3-64 Applied Biosystems

162

Applying user

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Displaying user

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User labels not

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3.6 Process that Occurs

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During Peak Detection

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Centroiding, and Integration

165

3-68 Applied Biosystems

166

After peak

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3-70 Applied Biosystems

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Default .SET files

169

3-72 Applied Biosystems

170

Additional

171

Voyager .SET files

171

3-74 Applied Biosystems

172

Chromatogram Data

173

4 Examining

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4.1 Overview

174

Types of

175

4-4 Applied Biosystems

176

4.2 Creating an

177

Extracted Ion Chromatogram

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4-6 Applied Biosystems

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Software User’s Guide 4-7

179

From the

180

Spectrum window

180

4.2.2 Creating a Constant

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4-10 Applied Biosystems

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Software User’s Guide 4-11

183

4-12 Applied Biosystems

184

4.3 Creating an Extracted

185

Absorbance Chromatogram

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(XAC) (Mariner Data Only)

185

4-14 Applied Biosystems

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4-16 Applied Biosystems

188

Noise Filtering/Smoothing

189

Software User’s Guide 4-17

189

4-18 Applied Biosystems

190

Software User’s Guide 4-19

191

4.5 Adding and Subtracting

192

Software User’s Guide 4-21

193

4-22 Applied Biosystems

194

(Mariner Data Only)

195

Filtering

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Software User’s Guide 4-25

197

Evaluating

198

Displaying

198

4.7 Adjusting the Baseline

199

4-28 Applied Biosystems

200

Adjusting the Baseline

201

Software User’s Guide 4-29

201

4.8 Using UV Trace Offset

202

Software User’s Guide 4-31

203

4-32 Applied Biosystems

204

5 Examining

205

Spectrum Data

205

5.1 Overview

206

5-4 Applied Biosystems

208

5.3 Manual Calibration

209

5-6 Applied Biosystems

210

5.3.2 Manually Calibrating

211

Manually

212

Manual Calibration

213

Software User’s Guide 5-9

213

Manually matching

214

Software User’s Guide 5-11

215

Eliminating data

216

Software User’s Guide 5-13

217

Automatically

218

Applying new

219

5-16 Applied Biosystems

220

Software User’s Guide 5-17

221

5-18 Applied Biosystems

222

Software User’s Guide 5-19

223

Modifying a

224

Specifying mass

225

5-22 Applied Biosystems

226

Software User’s Guide 5-23

227

Ensuring that

228

Importing a

229

5.4 Automatic Calibration

230

Automatic

231

Mariner data

231

Importing

233

5-30 Applied Biosystems

234

Automatic Calibration

235

Software User’s Guide 5-31

235

5-32 Applied Biosystems

236

Saving the .SET

237

Software User’s Guide 5-35

239

5.5 Centroiding

240

5.6 Mass Deconvolution

241

5-38 Applied Biosystems

242

Software User’s Guide 5-39

243

Converting to

244

Software User’s Guide 5-41

245

5-42 Applied Biosystems

246

Software User’s Guide 5-43

247

5-44 Applied Biosystems

248

5.8 Adjusting the Baseline

249

5-46 Applied Biosystems

250

Software User’s Guide 5-47

251

5-48 Applied Biosystems

252

Correcting the

253

(continued)

254

Software User’s Guide 5-53

257

5-54 Applied Biosystems

258

5.9 Truncating a Spectrum

260

Truncating a Spectrum

261

Software User’s Guide 5-57

261

5-58 Applied Biosystems

262

Spectrum (Mariner Data Only)

263

5-60 Applied Biosystems

264

Software User’s Guide 5-61

265

Effect on Mariner

267

.RST files

267

Processed Spectra from the

268

Same or Different Data Files

268

Software User’s Guide 5-65

269

5-66 Applied Biosystems

270

6 Using Tools and

271

Applications

271

6.1 Using the Elemental

272

Composition Calculator

272

Software User’s Guide 6-3

273

6-4 Applied Biosystems

274

Electron state for

275

If no results are

276

6.1.2 Setting Limits

277

6-8 Applied Biosystems

278

Adding new

279

Figure 6-6 Periodic Table

280

Software User’s Guide 6-11

281

Setting limits for

282

Using the Isotope

283

Calculator

283

6-14 Applied Biosystems

284

Using the Isotope Calculator

285

Software User’s Guide 6-15

285

Add and subtract

286

Software User’s Guide 6-17

287

If results are not

289

6.3 Using the

290

Mass Resolution Calculator

290

Software User’s Guide 6-21

291

6-22 Applied Biosystems

292

6-24 Applied Biosystems

294

6.5 Using the

295

Ion Fragmentation Calculator

295

6-26 Applied Biosystems

296

Software User’s Guide 6-27

297

Calculating the

298

Software User’s Guide 6-29

299

Creating a

300

6.6 Using the Elemental

301

Targeting Application

301

6-32 Applied Biosystems

302

Displaying the

303

6.7 Using the Macro Recorder

304

6-36 Applied Biosystems

306

6.7.2 Recording a Macro

307

Assigning a

308

6.7.4 Running a Macro

309

If the macro

310

6.7.5 Deleting a Macro

311

6.7.6 Advanced Macro Editing

312

Importing when

313

Exporting To export macros:

314

Using the Macro Recorder

315

Software User’s Guide 6-45

315

6-46 Applied Biosystems

316

7 Data Explorer

317

Examples

317

7.1 Mariner Data Examples

318

Mariner Data Examples

319

Software User’s Guide 7-3

319

7.1.2 Deconvoluting and

320

Evaluating Unresolved

320

Chromatographic Peaks

320

Creating

321

Software User’s Guide 7-7

323

7.1.3 Determining if a Peak

324

Software User’s Guide 7-9

325

7.2 Voyager Data Examples

327

Adjusting peak

328

Voyager Data Examples

329

Software User’s Guide 7-13

329

Optimize Mass Accuracy

330

Software User’s Guide 7-15

331

7-16 Applied Biosystems

332

Software User’s Guide 7-17

333

7.2.3 Detecting Peaks

334

Setting detection

335

Basic Settings Tab

336

Software User’s Guide 7-21

337

Increasing

338

8 Viewing

339

Voyager PSD Data

339

8.1 Displaying PSD Data

340

Displaying PSD Data

341

Software User’s Guide 8-3

341

8-4 Applied Biosystems

342

Redisplaying the

343

8-6 Applied Biosystems

344

Region of

345

8.2 Applying Fragment Labels

346

Applying Fragment Labels

347

Software User’s Guide 8-9

347

When to use this

348

Overview of

348

.CAL file

348

Calibrating a PSD Spectrum

349

Software User’s Guide 8-11

349

8.3.2 Calibrating

350

Software User’s Guide 8-13

351

8-14 Applied Biosystems

352

Matching peaks

353

Selecting peaks

354

Software User’s Guide 8-17

355

Solving and

356

Selecting

357

Creating PSD

358

.CAL files

358

8.3.4 Creating PSD

359

8-22 Applied Biosystems

360

When to change

361

8-24 Applied Biosystems

362

9 Troubleshooting

363

9.1 Overview

364

9.2 General Troubleshooting

365

Chapter 9 Troubleshooting

366

9-4 Applied Biosystems

366

General Troubleshooting

367

Software User’s Guide 9-5

367

9.3 Processing, Tools, and

368

Applications Troubleshooting

368

Software User’s Guide 9-7

369

9-8 Applied Biosystems

370

Software User’s Guide 9-9

371

9-10 Applied Biosystems

372

Calibration Troubleshooting

373

Software User’s Guide 9-11

373

9-12 Applied Biosystems

374

Software User’s Guide 9-13

375

9.5 Printing Troubleshooting

376

9.6 Peak Detection and

377

Labeling Troubleshooting

377

9-16 Applied Biosystems

378

Software User’s Guide 9-17

379

9-18 Applied Biosystems

380

Software User’s Guide 9-19

381

9-20 Applied Biosystems

382

Software User’s Guide 9-21

383

9-22 Applied Biosystems

384

Appendix

385

Warranty period

386

Warranty

386

Warranties

387

Appendix A Warranty

388

A-4 Applied Biosystems

388

B.1 Isotopes

390

Isotopic pattern

391

Isotope-limited

392

Isotopes

393

Software User’s Guide B-5

393

B.2 Monoisotopic

394

Figure B-7 Average Mass

395

Average mass

395

B-8 Applied Biosystems

396

C.1 Overview

398

C.2 Preparing Data

399

Before Accessing Macros

399

C.3 Accessing the Macros

400

C.4 Using the

401

Ladder Sequencing Toolbox

401

C-6 Applied Biosystems

402

Software User’s Guide C-7

403

C.5 Using the Peptide

405

Fragmentation Toolbox

405

Pairs To list ion pairs:

406

Software User’s Guide C-11

407

C-12 Applied Biosystems

408

Software User’s Guide C-13

409

C.6 Using the

411

Polymer Analysis Toolbox

411

C-16 Applied Biosystems

412

Calculations

413

Preparing data

414

MS Fit/MS tag

414

Using MS Fit/MS Tag Toolbox

415

Software User’s Guide C-19

415

C-20 Applied Biosystems

416

Numerics and Symbols

417

Index-2 Applied Biosystems

418

Index-4 Applied Biosystems

420

Index-6 Applied Biosystems

422

Index-8 Applied Biosystems

424

Index-10 Applied Biosystems

426

Index-12 Applied Biosystems

428

Index-14 Applied Biosystems

430

Index-16 Applied Biosystems

432

Index-18 Applied Biosystems

434

Index-20 Applied Biosystems

436

Index-22 Applied Biosystems

438

Index-24 Applied Biosystems

440

Index-26 Applied Biosystems

442

Index-28 Applied Biosystems

444

Index-30 Applied Biosystems

446





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