| 開發人員: | JPG Malthouse (14) | ||
| 價錢: | 免費 | ||
| 排名: | 0 | ||
| 評測: | 0 寫評論 | ||
| 清單: | 1 + 0 | ||
| 點數: | 1 + 0 ¡ | ||
| Mac App Store | |||
描述
The program fits and plots data to the equations:-
If one pKa only
Sobs=S1(1+K1/H)+S2/(1+H/K1)
If two pKa values
Sobs=(S1*H^2+S2*KA*H+S3*KA*KB)/(H^2+KA*H+KA*KB)
When "Fit " is selected you must input the initial estimates of ppm (S1 and S2 or S1,S2 and S3) and the pKa (PK1 or pK1 and PK2) values. The experimental data is then fitted using an iterative, non linear least-squares regression program. Note the two pKa fit is a five parameter fit and so it requires good data and good estimates to fit the data.
Results can be printed, saved as a text document or copied and pasted into other applications such as Word.
You can enter your data directly into the program and save it. Alternativelyif your data is in another program such as excel simply save it as a csv file or a Tab delimited text file. If you then go to the File menu item you can select “Open csv file” and you will be able to input data from the csv file. To input data saved as a Tab delimited text file go to the File menu and select “Open Tab file”.
If you want to refresh your knowledge of the practical aspects of 1D NMR you might find the iphone app "NMRQA" on the iTunes app store useful. If you want to estimate the contributions of dipolar relaxation and relaxation by Chemical Shift Anisotropy(CSA) you should find "T1calc" on the Mac app store useful.
螢幕擷取畫面
新功能
- 版本: 1.3.4
- 發佈日期:
- The graphics functionality lost when using the Big Sur or higher operating system has been restored.
價錢
- 今天: 免費
- 最小值: 免費
- 最大值: $3.99
追蹤票價
開發人員
- JPG Malthouse
- 平台: iOS 應用程式 (4) macOS 應用程式 (10)
- 清單: 1 + 0
- 點數: 16 + 0 ¡
- 排名: 0
- 評測: 0
- 折扣: 0
- 影片: 0
- RSS: 訂閱
點數
-
- 10,006 Simon Chan
- +1
排名
0 ☹️
清單
評測
成為第一個評論 🌟
其他資訊
- 版本: 1.3.4
- ID: net.eircom.ppmfit
- 類別 :
macOS 應用程式›教育 - OS:
macOS,macOS 10.12 以上版本 - 大小:
4 Mb - 支援的語言 :
English - 內容分級:
4+ - Mac App Store 評分:
0 - 發佈日期:
- 發行日期:
你可能還喜歡
-
- T1calc
- macOS 應用程式: 教育 由: JPG Malthouse
- 免費
- 清單: 1 + 0 排名: 0 評測: 0
- 點數: 2 + 0 版本: 1.0.6 This program calculates the spin lattice relation time (T1) and linewidth of a carbon atom relaxing by interacting with up 5 different nuclei by dipolar relaxation and or by Chemical ... ⥯
-
- kpHcalc
- macOS 應用程式: 教育 由: JPG Malthouse
- 免費
- 清單: 1 + 0 排名: 0 評測: 0
- 點數: 2 + 0 版本: 1.3.2 This program calculates the observed rate constant (kobs) for reactions dependent on 1 to 7 protonic states. XH6 = XH5 = XH4 = XH3 = XH2 = XH = X The program calculates and plots the ... ⥯