PharmaReport Program Instruction Manual 日本薬局方
Contents
1.2.
3. 5 1 I e DO 4 4 5 2 1 76 2 3 1 gt FilesYShimadzuY Rsolution MacrosY lam 4 Jam bas 00
4. 2 1 206 72488 91 1 206 95130 1 22 000000 IRsolution IR solution 1 2 Windows 3 a setup OK gt 4 5 OK gt 6 XProgram files Shimadzu Rsolution macros Kyokuhou3 ptm JK yokuhou2 ptm OK yokuhou1N G ptm KyokuhoulOK ptm XProgram files ShimadzuYl Rsolution PrintT
5. 1 1 2 3 1 2 3 4 5 6 7 Lu B 2 B 4 7
6. 1 1 I Rsolution IRsolution 1 IRsolution 2 IRsolution 3 IRsolution 12 OO0O00000000000000000000 1 IRsolution IRsolution Version 1 10
7. po0000000 FilesYShimadzuY I RsolutionY M acros Jem I Program
8. OO00000000000000000000000000000000000 1 UNU OOO Load Standard Ll Load Sample O 0000001 Load Peak Table O O Edit Peak Tablett DU lt Calculationx 2 lt Calculation gt 00 000000 000 00000000 Ol OD UU nail O Bad UU umaggm uu 000 O00 3 OU 00 00000000 O00000 111 uu 6 uuu Ans OU 11111 G ler IO UU U o O00 001 000000000 Tolerance EN 6 Tolerance EN NG TI I u U DON OU 008 80 9000 OKT U NG UU Do 000000 NGTIL DU U 3 UU I O O NG Julii 3 8 4 lt OK gt 0 00000000 0000 39000000000000000 E xi Selection Do vo
9. DO Printout Peak Detection 00 000000000000 Report OU LH DOD OD 6 DIU O lt Printout OOO 0000000 D 43 QOOO00000 p00000000000000 000000000 0 1 00 00000000000 2 00000000000000 3 00000000000 0 44 0000 1 0 410 0 lt rintout gt 0000000000 O 2 0 420 00000000000 0000 4 2 Load Standard Spectrum 000000000 3 DO 000000000 i DA 0000000000 O 4 0 43000000000000 0000 20 5 8 ii Pa 2 3 1 Poser qund A choral Gat Fla Path arati pg pris 1 4 3 Load Sample Spectrum 000000000 5 00000000000 000000000000 e 0 440 000000 00000 0000 Do you print a report 4400000000000 7 Sex 00000000 00000000 000000 450000000 00 0 D 00 D Nox D 0000000 0000000000000 00000 21 T i T T T T 3500 3000 2500 2000 1750 1500 1250 1000 T T 4500 4000 Polystyrene Film C Program Files Shimadzu Rsolution data kyokuhou Sample smf PS1 go 4 1 cm 2003 08 07
10. 3 10 OK NG kel DI 18 1 40 Lut uti 4 A Uu OUUU I Rsolution 1 2 OOO00000000000 IRsolution
11. IRsolution IRsolution IRsolution SOR va a stehe te maaa 8 jS AMBAE DE 8 12 HBH EP EET ETE ET ET Oo 0000 E i e het 8 AES a Ree hte eee Dy tes 9 251 IA Oise de inter LE dek ipi etes 9 22 ENDA rare 9 29 RAN BE aa sus anu cai oa NE A 10 2 4 ii della nl 10 25441 HERD a ala ere 10 242 O MEE DEER svart 11 SEN CHOLET S RE EE RR iss ai e tts 12 EJ EE ELE E1592 site t e oa e e ed eere 12 1 1111111111 3511 e M e tte t at ete oen 12 3 2 E AN E ET ER ocn Second ie ena tt sett GEA 13 Load Standard T D 0 O00 I DO 14 3 4 14 Load Sample 0 00 000 T OG 3 5 A tiet tei uu 15 Load Peak Table TI 00 0 HB D B 000000000 D
12. IRsolution 3 1 e e DO 3 2 1 IRsolution 2 3 I Program Files ShimadzuY I R sol uti on M acros Jam 4 j cm bas O U 1 an 5 3 1 x 3 3 Printout 1 Peak Detection Report
13. IRsolution FTIR IRsolution El El El IRsolution
14. IRsolution 10 3 bm GAProgram FilesShimadz Ja Tr Reo CHESMPI D ME 74 ATA D 21 000 0000000000000 242 00000000000 OUDOLUUL 0000000 0000000000000 000000000 000000000000 000000 00000000000 0000000000000 0000000000000 00000 OO DU 00000 0000000000 00000000000 0000000000000 00 po0000000 11 30 LUUULULU
15. IRsolution IRsolution ZU
16. 15 3 6 1 Edit Peak Table JO 00 00000000000000 D 15 3 6 2 Gal wWationp E T pp P see e oa ce iiie cete rates 17 3 7 040 DOOOOOOOO OODODODOODOD 19 ate MI DBE P ELE ATEN 19 42 EEE EISE rola ao eta cadre ei 19 4 53 EEE GG tas nt na aa Dt 20 4 4 JA RE eer pa ata data a pa t 7 eed 20 SE VEET ETE EO d s ERE ET EI EET D mo 28 n E ree E neis 23 bet HATTEN ata e re e ha te ette ts 23 522 FELE WUER AA ae 23 oiee DANNI ME RR O DE ET Ae th eR ete e 24 5 4 lt EGA Samper Epor 00 Il k o oc at Eta aet ea da 25 55 LLL LY EP ET ET ET D aes oi tn anna 25 5 5 1 Load Peak Table DI 00 0000000000000 D D 25 5 5 2 Edit Peak Table UD HB HH BH HE 00000000 U 26 5 6 Detection M E E ELELE El ED Re EH ineo e er irr te 27 060 OO0000000 000000000000 statu 29 26 6 1 UUUUUNUU
17. abs 8 2 4 10168 ua hear d t are get alin li la das 8 2 4 1 Selection of spectrum siens 8 2 42 Printed Scan parameter iii 9 Chapter 3 How to use of the program ss 10 3 1 Data which should be prepared nana aaa amana 10 3 2 Beginning of program ie 10 3 3 Outline of the operation issus 11 3 4 Load Standard standard spectrum button 12 3 5 Load Sample sample spectrum button 12 3 6 GEET 13 3 6 1 Load Peak Table reading of peak table lei 13 3 6 2 Edit Peak Table making and edit of peak table 13 3 7 Calculation calculation execution button 15 Chapter 4 How to use of the program non nea ana aaa amana 18 4 1 Data which should be prepared non nn 18 4 2 Beginning of Program o no nn iii 18 4 3 Outline of the operation iii 19 4 4 Operation method 19 Chapter 5 How to use of the program 4 nt 22 Peak detection function aaa snes 22 5 1 Data which should be prepared m nea ana na 22 5 2 Beginning of program ie 22 5 3 Outline of the operation m 23 5 4 Load Sample sample spectrum button
18. 090 Sample Spectrum DU 000 ada d d 00 2 JO dg 000 00 0 00 Y 0000 01 0 00 00 3 0 gt 0 00000000 0000 3 20 00000000000 000 D 2 3 Data e Ee PI TUTORIAL TE 0 0 0 Fri ENTE ET File Paih ari et 1 3 4 Load Sample Spectrum 00000000 side 36 0000000000000 O0O000000000000000000000000000000000000000000 00000000000 100000 0000000000 00000 00000000000000000 OO 40000000000000000000000000000000000000000000000 0OO00000000000000000000000000000000000000000000 0 3 20 Load Peak Table 0000000 000 0000000000000000000000 DU 0 0 000 U DU lt Edit Peak Table QO 0 00000 0000 0000000000000 00 00 U DU U 0 3 6 1 Load Peak Table M000 000000000000000 O 3 20 Load Peak Table 00000000 O00 0000000000000000 000000 DOUDDODODDODOU 1 350000000000000000 6 arom e ct I FE dr 32 2 kale GES s 3 5 Load Peak Table OO 000000 2 O0O0000000000000000 watr 000 3 00000000 0000 gt 20 00000000000 000 O 4 poo 0000000000 0000000000000 000000000000 00 00 U OU UUUD 00000000 000000000 000000000000 00000000 O O Edit Peak Table 0000 00000 3 6 2 Edit Peak Table 0 00 000000000000000 O 3 20 Edit Peak Table 00000000 0000 0000000000000 0 000000000 DDBU 1 0 36000000000000 0000 15 2 Talelancalem 1 ay em e QE 3 lt q q q q q q
19. 6 HE O Report DO HOO 3 2 000000000000000 0000001 UU dl 2 Calculation Load Sample Peak table Exit Load Peak T able Edit Peak Table 032 000000000001 OG O Load Standard Load Sample OD 0000000000 Load Peak Table DO Edit Peak Table 000000000 1 0 go Dl O000 Calculation Exit 111 OU 00000000000000000000 OOOO00000 OU uui 1 Load Standard 1 2 Load Samples 0000 0 00 000 0 3 Load Peak Table LI ULIL OI Edit Peak Table 00000 DU 0000000000000000 4 lt Calculation gt IUI 13 3 4 Load Standard T 0 OO 000 mou OO0000000000000000000000000 1 Load Standard 00 00000 D 1 ead Standard Spetrum J 0000000000 0 2 00000000000 0 00 A UI 000000000 00000 3 0 gt 0 00000000 0000 3 20 00000000000 0000 a Get Fite Pate senil Firik 1 3 3 Load Standard Spectrum OO BB 0 000 3 5 Load Sample T 0 I 0 000 m ou OO000000000000000000000000 1 Load Sample 00000000
20. 000000000 2 lt Load Peak Table gt Edit Peak Table DO O uu utt 3 Detection HOO DO 24 5 4 Load Sample 0 0 000 mou O0O000000000000000000000000 1 Load Sample 000 00000 DOOLoad Sample Spectrum OO 00 00000000 OU 2 DO 00000 00000000000 000 3 lt 00000000 0000 520000000000000000 TG nu sl GE P s TUTORIAL ad CHEER rei 4 HES MP asi EPs rmi H Feki 884 E Free set 1 iarirasch cmi w LTEM zi Nl 5 EE no 3 J F eem TH DEDO Fim Path 5 _ geccbt 5 3 Load Sample SpecttrumTI HE OU 000 55 0000000000000 O0000000000000000000000000000000000000000000 00000000000 00Q00000000000000000400000000000000000 DD O podd0d 000000000 000000000000 000000 00000000000 0000 DU O 00000000 00000 0000 0000 0000000000000 0000000000 0 5 20 Load Peak Table 00000000 000000 00000000000 00000000 DU 0 0 0 000 U dit Peak Table QO 0 00000
21. Figure 4 1 Selection of program 18 Button Content Printout Runs the Spectrum Comparison function Peak Detection Runs the Peak detection function Report Runs the Report creating function 6 Then dick lt Printout gt button 4 3 Outline of the operation The outline of the operation of this program is as follows 1 Load a standard spectrum 2 Load a sample spectrum 3 Thereport is printed 4 4 Operation method 1 Click lt Printout gt button in Figure 4 1 2 Thedialog box in Figure 4 2 opens Load Standard Spectrum Bet Fie Pan smi Cancel Figure 4 2 Load Standard Spectrum dialog box 3 Select a standard spectrum and then click Open gt button 4 Thedialog box in Figure 4 3 opens 19 Lad Sample Spectre Leak br 24 kuh mer E ig erg Harirap 14 Dadap r S My Documents a Ma Computer Fis pare ER Filet of 6 Fie Pat inf Figure 4 3 Load Sample Spectrum dialog box My it 5 Select a sample spectrum and then dick Open button 6 Thedialog box in Figure 4 4 opens Selection Do you print a report Figure 4 4 Print dialog box 7 Click Yes button to printout a Report such as Figure 4 5 The program ends if No button is clicked 20 2003 08 07 06 21 36 Shimazu T T T T T T T T T 4500 40
22. Cancel Figure 3 3 Load Standard Spectrum dialog box 3 5 lt Load Sample gt Spectrum button It is a button to prepare a sample file necessary for the calculation 1 Click the Load Sample gt button to open the Load Sample Spectrum dialog box 2 Select the sample spectrum 3 Clicking the lt Open gt button returns to the dialog box in Figure 3 2 Losd Sample Sperber 5 gor Et dag Mu Documents E LI Ma Computer m mom Pow Filet of pupa Ea Fie Pat ant Cancel Mp Figure 3 4 Load Sample Spectrum dialog box 12 3 6 Peak table file Up to 10 peaks can be specified to detect Up to 4 peaks can be specified to calculate the Transmittance Ratio to evaluate the intensity The set of the peak wavenumber is saved asa data file The peak table file can be created by clicking lt Load Peak Table button in Figure 3 2 or edited by clicking Edit Peak Table gt button 3 6 1 Load Peak Table gt button The peak table file which has already been made can be loaded by clicking Load Peak Table button in Figure 3 2 1 The dialog box in Figure 3 5 opens Load Peak File c My Computer Em ka re My Hebsork P Files cl type Get File Paita wadi Figure 3 5 Load Peak File dialog box The extension of the peak table file is wdtr Select a Peak table file and then click the lt Open gt button to return to the dialog
23. This program will check the integrity of the PharmReport program Cancel Check is finished lt lt Integrity Check Passed gt gt Report is in c program filesishimadzulirsolutiomJPprogchk bdt Press Notepad to view the report Figure 6 4 Check result 7 When lt Note pad gt button is clicked the check result is displayed It is possible to print from this screen The check result cannot be corrected BE sint pazi Check che Program Files Operator z Syetes Administratot Program Heme z FharsPepoct progres Version z 1 10 Check Pare 2003 02 05 Date Time Check fan checks ake FharsFeport Lom Figure 6 5 Check result 29 206 95130A IRsolution DOUDDUDU Read this manual carefully before using this product Please keep this manual for future reference UULUULUUULUL 0000000000000 00 L 0000 au 00000 1 1 1 DS ER EP 11111 1 1 1 1 Copyright 2002
24. 0000 0000000000000 00 00 OD DOL 0 5 5 1 Load Peak Table 00 000000000000000 0 5 20 Load Peak Tables 1 000000 000000 00000000000 00000000 O0O00000000000 1 0 54Q000000000000000 25 Aa st NED 3 erae fer A 8 2 ip rini Emi rus Pen sap 5 4 Load Peak Table OU BB 0 000 2 I00000000000000000 wdtp lt O gt 0 00000000 0000 200000000000 0 000 U 4 O0000000000000000000000000000000000000000000 OO0O0000000000000000000000000000000000000000 O O Edit Peak Table 000000000 5 5 2 Edit Peak Table TI 00 000000000000 D 0 5 20 Edit Peak Table 00 0 00000 0000 0000000 0000000 000000000 DDBU 1 0 55Q0000000000000000 F AA Le men Lina E F E zi F E mi E m Maka wlha Ee sa Hi fam Hi g AD ep m 5 5 Edit Peak W No 00 0 000 2 DODO 00000WaveNoJ 00000010 QO000000000000000000 58 00000 000000000000000000000000000000000 O0O000000000000 26 3 poco 000000000000 0000000 000000000000 00000000 O O Marker w No Tiii 000 0000000 00000000000 0400000000 1 4 08 0 800 0000000000 OU 560000000000000000000 10 00 0 00000000000 000 III OU 0000000000000 wetp DD 5 lt 0 00000000 0000 520000000000000000 TH IME umm Fi Fim Patri ech 5 6 Save Peak File 000000000 5 6 Detection 00 0 LU 00 O000000000
25. 15 25 20 20 Happ Genzel pa pr Coen r 300 4000 3500 3000 2500 2000 1750 1500 1250 1000 739 Polystyrene Film C Program FilesYShimadzuY1RsolutionYdataYkyokuhouXYSTD smf PS2 oo 4 1 cm 2003 08 07 14 50 30 20 0 0000000 Happ Genzel 0 4500000000 22 jou UU L 11111 O uut IRsolution
26. 23 5 5 Peak table iii tiie cane eda e d vd lal a ag hits 24 5 5 1 Load Peak Table reading of peak table file 24 5 5 2 Edit Peak Table making and edit of peak table 25 5 6 Detection peak detection buton 26 Chapter 6 How to use of the program 28 Alteration check program 28 6 1 Operation method sii a cae iai A red talents cue DECR tay 28 Chapter 1 Outline of PharmaReport Program 1 1 Outline The PharmaReport Program for IRsolution is supplied as an option program which operates on the Rsolution software The following functions are included in this program 1 Report Creating Creates an analysis report to compare a sample spectrum with a standard spectrum based on identification test in the pharmacopoeias Peak wavenumbers and peak ratios are calculated and the program judges Pass OK Fail NG based on the errors calculated Peak wavenumbers and Peak ratios 2 Spectrum Comparison Creates a report suitable to compare standard and sample spectra based on identification test in the pharmacopoeias 3 Peak Detection Detect peaks being described in identification test in the pharmacopoeias and creates a report 1 2 Environment to operate the PharmaReport Program 1 Version of IRsolution The PharmaReport Program operates by IRsolution
27. already been made with lt Load Peak Table gt button or create a Peak table file with Edit Peak Table gt button 3 Click the lt Detection gt button to create a Report 5 4 lt Load Sample gt Spectrum button Itisa button to prepare a sample file necessary for the calculation 1 Click the Load Sample gt button to open the L oad Sample Spectrum dialog box SO 2 Select the sample spectrum 3 Clicking the Open gt button returns to the dialog box in Figure 5 2 Load Sample Sper brazi Xx Ma Computer Mp pes Filet of bop Cost Fie onf Figure 5 3 Load Sample Spectrum dialog box 5 5 Peak table file Up to 10 peaks can be specified to detect Up to 4 positions can be specified to remark The set of the peak wavenumber is saved asa data file The peak table file can be created by clicking lt Load Peak Table button in Figure 5 2 or edited by clicking Edit Peak Table button 5 5 1 lt Load Peak Table button The peak table file which has already been made can be read by clicking Load Peak Table button in Figure 5 2 1 The dialog box in Figure 5 4 opens EIERE Hy Decente ky Computer TE E k y Hetero Files cl type et F e Pat sayl Cancel Figure 5 4 Load Peak Table dialog box 24 The extension of the peak table file is wdtp 3 Select a Peak table file a
28. d 5 5 1 5 1 Hail Printout Peak Detection Report DODODODDOD 6 000 O lt Peak Detection 00000000 0000 5 2000000000000 00000000 LI LU Peak table Exit Load Peak Table Ew Edit Peak Table H 9 2 00000000000 000 1 Load Sample Load Peak Table 1 LL Edit Peak Table Detection 111 1 00000000 Exit 1 1 OOUOUUU U 0 53 00000000 ULU LI
29. gt button The peak detection is executed The result is printed 1 The lt Detection gt button will be activated when all of Loading Peak Table and Loading Sample file are done 2 Thedialog box in Figure 5 7 opens Selection Do you print a report Figure 5 7 print dialog box 3 Click Yes button to printout a Report such as Figure 5 8 The program ends if No button is clicked The procedure from which the calculation is executed is as follows 1 The peak of the sample spectrum is detected referring to the peak table 2 When the peak is not detected the error message is actually displayed 3 The peak position is plotted on the screen 4 When lt detection gt is selected a spectrum scan parameters and peak information are printed such as Figure 5 8 5 Close the program clicking Cancel button once and select File SaveAs command to save the spectrum with peak marks 26 w o 8 o o B a w o 5 TT TT q AAA A AT mann LOTTO JD PT 4500 4000 3500 3000 2500 2000 1750 1500 1250 1000 730 500 Polystyrene Film 1 cm Filename C Program Files ShimadzuY RsolutionY dataY kyokuhouY Sample smf Sample Name PS1 Peak 8 k Scanned on 2002 05 07 15 10 23 2 SES Resolution 4 1 cm P2 906 6 29 2 M2 2250 Accumulation 20 Times P3 1028 1 12 7 Apodization Happ Genzel P4 1601 0 4 2 P5 3060 2 2 0 P6 2849 9 8 8 Figure
30. returns to the dialog box in Figure 3 2 14 Cae Peak file Figure 3 7 Save Peak File dialog box 3 7 lt Calculation gt button The calculation is executed and judged The result is displayed on the screen and printed 1 The Calculation button will be activated when all of Loading Peak Table Loading Sample file and Loading Standard file are done 2 When lt Calculation gt button is clicked the calculation is executed according to the following procedures 1 The peak of standard spectrum is detected referring to the peak table 2 The peak of the sample spectrum is detected referring to the detected peak list of standard spectrum 3 Errors differences of peak wavenumber of standard from one pf sample are calculated 4 Peak ratios in Transmittance are calculated for the standard spectrum 6 Ratio of peak ratios in 5 to peak ratios in 4 for evaluation 5 Peak ratios in Transmittance are calculated for the sample spectrum 7 Prints out the result of 3 and 6 At this time udgment becomes NG when one of errors of peak wavenumber or one of errors of peak ratio is not satisfied Tolerance 8 When all of all listed errors are satisfied Tolerances udgment is OK 3 The spectrum and the J udgment OK NG are displayed LabControl Macro x Judgement OK Figure 3 8 E valuation 15 Figure 3 9 Print dialog box 5 Click Yes button to p
31. the program judges Pass OK Fail NG based on the errors calculated Peak wavenumbers and Peak ratios 3 1 Data which should be prepared Standard spectrum Transmittance Sample spectrum Transmittance Peak table It is made in this program Note In this program data with an active pointer in the selected spectrum file is used to calculation When the Raw scanned data is used by this program Scan parameters are printed on the report However when an active pointer is set to manipulated data the Scan parameters are not printed and leave blank 3 2 Starting of program Start Rsolution Click the Macro tab to display the macro platform screen Select M acro Open Macro Container to open Program Files Shimadzu YIRsolution YMacrosYPharmaReport lam The program is displayed in the macro toolbar 4 Select PharmaReport under the PharmaReport lcm and then select Macro Run to execute the program Note The program does not start even if the P button in the macro toolbar is clicked 5 Thedialog box in Figure 3 1 opens x Plase Progen 1 Peak 66 Repo Cancel Figure 3 1 Selection of program 10 Button Content Printout Runs the Spectrum Comparison function Peak Detection Runs the Peak detection function Report Runs the Report creating function 6 Then click Report t
32. 00 3500 3000 2500 2000 1750 1500 1250 1000 Polystyrene Film File name C Program F ilesYShimadzuY Rsolution data kyokuhou Sample smf Sample name PS1 Resolution 4 1 cm Scanned on 2003 08 07 15 25 20 Accumulation 20 Times Apodization Happ Genzel T T T T T T T T T 4500 4000 3500 3000 2500 2000 1750 1500 1250 1000 Polystyrene Film File name C Program F ilesYShimadzuY I Rsolution data kyokuhou ST D smf Sample name PS2 Resolution 4 1 cm Scanned on 2003 08 07 14 50 30 Accumulation 20 Times Apodization Happ Genzel Figure 4 5 Printed report example 21 Chapter 5 How to use of the program Peak detection function The Peak detection function detect peaks being described in identification test in the pharmacopoeias and creates a report 5 1 Data which should be prepared e Sample spectrum Transmittance e Peak table It is made in this program Note In this program data with an active pointer in the selected spectrum file is used to calculation When the Raw scanned data is used by this program Scan parameters are printed on the report However when an active pointer is set to manipulated data the Scan parameters are not printed and leave blank 5 2 Starting of program 1 Start IRsolution Click the Macro tab to display the macro platform screen 3 Select Macro Open Macro Container to open Program Files YShimadzu YIRsol
33. 00000 00000 U pod 0000000000000 62000000 E SHIMADZU Solti r Science since 1875 wn w AIHE D 61000000 3 620111 00000000 ID ELDE Ad Sreem Administrator OL MONA Fr TEMA FALI U 62000000 00000000 4 1 00 008 0000000043 000 0000 0000000 O 5 0 63000000 0000004 D U 0000000000 29 UI DEE Fryd Is Sr LZ z pyth YENE D 63000000 00000000 e JOO0O00000000000000000000 1772 AQefIS OREA Y 90709354 0709 ERG AMT Wa FL Fo fet Fry FET LAL lt ARAL gt gt SRB d 7741 c program files shimadzu irsolution JPprechk txt ZE MRD IFE COB KA 64000000 7 lt 00 gt 200000000 0000 0000 000000000000000000000000000 1 System Administrator 1 Ela Tr z 1 3 2002 10 24 16 51 15 Fe OK 0 DE K 08 DE OK IR OK DK 0 DE System Administrator 65 000000 30
34. 0000000000000000000000 1 0000000000 Load Sample 1111 Load Peak Table 0 0 O Edit Peak Table DD Detection 000000000 OU 2 0 7000000000000 0000 Do you print a report U 5 7 00000000000 3 e gt 00000000 00000000 000000 580000000 DD 0 0 00 0 No gt 111 00110 QO0000000000000000 27 podo0 0000000000000 JD 0000000000000000000000000000000 0000000000000000 00000 00000000000 0 e 0000000000000000 O 000000000 OU OU gp 000 000 000 000 00 00000000 58 S 000000 00 00000000 0 00 000 O 000000000000000 0000000000 00000000 10000000000 00000000000 U O0IRsolution rj MO000000000 00000 MODO p00000000000000 15 TLD 5 5 PT TT SR SSE 26 IT 4500 4000 3500 3000 2500 2000 1750 1500 Polystyrene Film III C Program FilesyShimadzuY Rsol utionY data kyokuhou Sample smf NU 000 2002 05 07 15 10 23 LY 1 P2 906 6 29 2 M2 2250 OU 20 0 P3 1028 1 12 7 0000000 Happ Genzel P4 1601 0 4 2 P5 3060 2 2 0 P6 2849 9 8 8 D 5800000000 28 1 etu OouUCDOCOCOCOOUUL OO00000000000000000000000000000000000000000000000 OO0000000000000000000000 6 1 0000 1 M00 00 0 00000 I Rsolution1 1 O O 0 000000000000000 2 HOOOOOGOO0O0MO000000000000000 610 000000000000 000 0 0000000100 OOO 000000000 DU 000000
35. 206 95130A PharmaReport Program Instruction Manual Read this manual carefully before using this product Please keep this manual for future reference 00000000000 0 OU 1 1 11 1 1 1 1 0 OU 1 P SEFF DODODUOUDOD 206 95130A Instruction Manual IRsolution PharmaReport Program Read this manual carefully before using this product Please keep this manual for future reference D ER FPT Analytical amp Measuring Instruments Division Copyright Shimadzu Corporation 2003 All rights are reserved including those to reproduce this publication or parts there of in any form without permission in writing from Shimadzu Corporation 1 Information in this publication is subject to change without notice and does not represent a commitment on the part of vender Any errors or omissions which many have occurred in this publication despite the utmost care taken in its production will be corrected as soon as possible but not necessarily immediately upon detection Note the Shimadzu does not have any obligation concerning the effects resulting from the application of the contents of this manual Please acknowledge being not able to answer for the influence of the result of operation by the content of this book For safety use IRsolution PharmaReport
36. 5 8 Printed report example 27 Chapter 6 How to use of the program Alteration check program The Alteration check function is included in this program The Alteration check function is a program which checks whether this program is illegally altered 6 1 Operation method 1 Select Alteration check from Start Program 2 When Shimadzu user authentication tool is installed Login dialog box of Figure 6 1 is displayed Input User ID and password When the tool is not installed the dialog in Figure 6 2 is displayed COSHIMADZU Solutions for Science since 5 Login Ok 8355 0 j Cancel Figure 6 1 Log in screen 3 Alteration check program screen in Figure 6 2 is displayed B Check thr program Program List salutes Ve 1 10 User Aufhanitic stion Tool Ver 104 FharmRaport program Ver 1 F System 852 Select from Program Let and Chok Check bution Figure 6 2 Alteration check program screen 4 Select PharmaReport program and click check gt button 5 When the screen in Figure 6 3 is displayed click the execution button 28 Check the Program Files This program will check the integrity of the ParmReport progra Cancel Notepad Figure 6 3 Alteration check screen 6 TheAlteration check result is displayed in the dialog Check the Program Files E
37. Program is an optional program for IRsolution to create a report for identification test for Pharmacopoeia works Please remember the following items when using this product 1 Please DO NOT use this product for purposes other than what is was designed for 2 For safety reasons follow the procedure described in the instruction manual 3 Obey warnings or caution descriptions 4 DONOT modify the product by yourself This instruction manual defines the levels of warning as follows Death or serious injury may result is this warning is not followed Injury may result if this caution is not followed This notice with increase the understanding and usefulness of the software Guide for using the Instruction Manual The manual of the PharmaReport program for the IRsolution software is one this book composition This instruction manual explains functions of the PharmaReport program function offered as an option function of the IRsolution software in this book For general operations of the IRsolution refer to the Instruction Manual for the IRsolution software Chapter 1 Outline of the PharmaReport Program reatar 6 SEE IE EET 6 1 2 Environment to operate the PharmaReport Program nea ana 6 Chapter 2 SUP uci v ee CL tasta ee eet H 2 1 Confirmation of number iii 7 2 2 261111 um amaaa trente A 7 2 9 x Prnbtemplate 5526 Re
38. Version 1 10 or later Please contact to you Shimadzu representatives to upgrade your IRsolution version when you use older version of Rsolution 2 Macro platform The PharmaReport Program operates by using the Macro Platform of the IRsolution software If the Macro Platform is not installed the PharmaReport does not run Please perchance and install the Macro Platform when it is not possession Chapter 2 Setup 2 1 Confirmation of parts Check up necessary parts are included in your package before installation Name of articles P N No Installation disk for PharmaReport 206 72488 91 1 set Instruction Manual this book 206 95130 1 2 2 Setup This paragraph describes the procedure to install the PharmaReport Program to the IRsolution software Please confirm the IRsolution software and Macro Platform has been correctly installed in the computer before the installation D cm Insert the installation disk in the floppy disk drive Select Run on the start button menu of Windows Input to the file name as A setup and then dicks OK gt button Theinstallation program starts Click OK button and the installation is finished ParmReport lcm is copied to Program files ShimadzuYI Rsolution macros folder Kyokuhou3 ptm Kyokuhou2 ptm Kyokuhou1NG ptm and Kyokuhou1OK ptm are copied onto Program files Shimadzu YIRsolut
39. box in Figure 3 2 4 Clicking the Edit Peak Table gt button explains next is used to create the Peak table newly 3 6 2 Edit Peak Table gt button The peak table file can be created or edited by clicking Edit Peak Table button in Figure 3 2 1 Thedialog box in Figure 3 6 opens 13 Edit Peak ilor mater Use Ma Wave Ho Toletanceien l a 4 lt woe PETET x lt lt l To EZ 19 3060 Evaluation Peak No Ah sh Do TokranceiCHl 1e 02 Figure 3 6 Edit Peak Information dialog box Input peak wavenumbers into Wave No column and the range of the Tolerance of the peak wavenumber into the Tolerance column It is possible to input up to ten peaks The check mark is put to Use columns of the wavenumber used to calculate Even if the wavenumber is input the one without check mark is not used to calculate First of all number of peaks to be used for Peak ratio evaluation to Evaluation Peak No Then input the numbers of the peak wavenumber to be used for evaluation It is possible to specify up to four peaks The range of the Tolerance compared with the peak is input to the Tolerance column When the input ends OK gt button is dicked The dialog box in Figure 3 7 is displayed and the created peak table file is saved The extension of the peak table file is wdtr Clicking the Save button
40. emplates 23 00000000 IRsolution CX Program filesYShimadzuY1Rsolution K yokuhou3 ptm K yokuhou2
41. ion YPrintTemplates fol der 2 3 Print template When IRsolution is not installed in C YProgram files Shimadzu Rsolution it is necessary to correct the print template file Please correct four files of Kyokuhou3 ptm Kyokuhou2 ptm Kyokuhou1NG ptm and KyokuhoulOK ptm as follows 1 Run the Report function and dick No gt button on the print screen once As a result XProgram files Shimadzu RsolutionY data kyokuho report txt and report2 txt are created 2 Select the Print tab on I Rsolution 3 Select File Open and open Kyokuhou3 ptm 4 Select the evaluation result text frame 5 Specify the Report txt or Report2 txt to the result text frame on the RTF Filename column in object property window 6 Select File Save Other Kyokuhou2 ptm Kyokuhou1NG ptm and KyokuhoulOK ptm are similarly corrected 2 4 Notes Please note the following points when you use this program 2 4 1 Selection of spectrum In this program data with an active pointer in the selected spectrum file is used to calculation In IRsolution when various Data manipulation such as Baseline correction Kubelka Munk conversion etc are done to the measured data the Data manipulation result is saved as a Child data of the original data in the has the tree structured file Data with an Active pointer is displayed first when a file con
42. lt U PE uka qala PT 1111111111 TolranceiD 1 1 03 3 6 Edit Peak Information O 80 0 000 OO 00 lWaveNo 000000000000 OOTolerance 010 OO00000000000000000000s8 0000000 00000000000 OO0000000000000000000000000000000000 O0O000000000000000000000000000000Evaluation Peak NoMOO 000000000000 04 0000000000 DD DB 00000 0 8 D 0000 OOOO O000 lt 0k gt 9 0000000000 CU 370 000000000000 00 00 D po00 0000000000000 0000 0000000000 000000000 wdtr 000 lt 0 00000000 0000 3 20 0000000000 D 0000 2139 agang ameno mer 3 EENEI uae wem 3 7 Save Peak File 000000000 16 3 7 Calculation O 0 O mon
43. nd then click the Open button to return to the dialog box in Figure 5 2 4 Clicking the Edit Peak Table gt button explains next is used to create the Peak table newly 5 5 2 lt Edit Peak Table button The peak table file can be created or edited by clicking lt Edit Peak Table gt button in Figure 5 2 1 Thedialog box in Figure 5 5 opens Edit Peak W Ha xj Um Wo waya No i a aj i 3060 5 de 5 Harker YAN Ha fa Hi 1750 Ma 2210 2 f kid 0 Figure 5 5 Edit Peak W No dialog box 2 Input peak wavenumbers into Wave No column It is possible to input up to ten peaks The check mark is put to Use columns of the wavenumber used to calculate Even if the wavenumber is input the one without check mark is not used to calculate 3 First of all number of positions to be used for Remark Then input the wavenumbers for Remarks It is possible to specify up to four positions 4 When the input ends lt OK gt button is dicked The dialog box in Figure 5 6 is displayed and the created peak table file is saved The extension of the peak table file is wdtp 5 Clicking the lt Save gt button returns to the dialog box in Figure 5 2 25 Syre Peak hile aa ps sedir Pepe fo d Hr Metre E L 2 mpa 54 Falli H Figure 5 6 Save Peak File dialog box 5 6 lt Detection
44. o open the dialog box in Figure 3 2 and the Report creating function for Pharmacopoeias starts Report Creation x Spectrum s Calculation Load Sample r Peak table Exit Load Peak T able Edit Peak T able Figure 3 2 Report creating function screen Button Content Load Standard Loads a standard spectrum Load Sample Loads a sample spectrum Load Peak Table Loads a Peak table file which has already been made Edit Peak Table Creates E dits a Peak table file Calculation Calculates and creates a Report Exit Closes the program 3 3 Outline of the operation The outline of the operation of this program is as follows 1 Load a standard spectrum with Load Standard gt button Load a sample spectrum with lt Load Sample gt button Load a Peak table file which has already been made with lt Load Peak Table gt button or create a Peak table file with Edit Peak Table gt button 4 Click the lt Calculation gt button to create a Report sile 3 4 Load Standard Spectrum button Itisa button to prepare a standard spectrum file necessary for the calculation 1 Click the Load Standard button to open the Load Standard Spectrum dialog box 2 Select the standard spectrum 3 Clicking the lt Open gt button returns to the dialog box in Figure 3 2 oad Standard Spectrum Bet Fae svi
45. ptm Kyokuhou1NG ptm J KyokuhoulOK ptm 4 1 No Program files ShimadzuY I Rsolution dataY kyokuhoYreport txt report2 txt 2 IRsolution 3 HEU K yokuhou3 ptm 4 5 Object Properties RTF Filename 1 report txt report2 txt 6 I H 7 K yokuhou2 ptm OK yokuhou1N G ptm T K yokuhou1OK om 24 0000 24 1 00000000 IRsolution
46. rintout a Report such as Figure 3 10 The program ends if No button is clicked 2003 08 07 06 21 36 Shimazu D Q CXProgram Fi es ShimadzuYl Rsolution data kyokuhou Sample smf Scanned on 2003 08 07 15 25 20 Accumulation 20 Times Resolution 4 1 cm Apodization Happ Genzel Re zobo 2589 2000 1750 1sbo 260 C Program Files ShimadzuY I R sol uti onY dataYkyokuhou ST D smf Scanned on 2003 08 07 14 50 30 Accumulation 20 Times Resolution 4 1 cm Apodization Happ Genzel Peak wavenumber Sample Standard goods Tolerance Error cm 1 cm 1 cm 1 cm 1 540 1 542 0 5 00 0 36 906 6 906 6 5 00 0 00 1028 1 1028 1 5 00 0 00 1601 0 1601 0 i 5 00 0 00 3060 2 i 3060 2 1 5 00 0 00 2849 9 A 2849 9 5 00 0 00 Peak Ratio Sample Standard goods Tolerance Error A B 1 4584 1 4031 14 0 3 1 0394 A C 0 9514 0 9150 1 0 3 1 0397 B C 0 6524 0 6522 1 0 3 1 0003 Figure 3 10 Printed report example 16 The report consists of the Scan parameter J udgment OK or NG spectra of standard and sample and calculated table Markers to show the selected peaks for detection and evaluation are displayed The upper part of the calculated table shows the detected peak wavenumbers and their transmittance for both sample and standard spectra The right row shows error which is calculated by Peak wavenumber of sample Peak wavenumber of standard The lower part shows Peak ratio
47. s of evaluation peaks for both sample and standard spectra The right row shows a error which is calculated by Peak ratio of sample Peak ratio of standard 17 Chapter 4 How to use of the program Spectrum comparison function The Spectrum comparison function creates a report suitable to compare standard and sample spectra based on identification test in the pharmacopoeias 4 1 Data which should be prepared e Standard spectrum Transmittance e Sample spectrum Transmittance Note In this program data with an active pointer in the selected spectrum file is used to calculation When the Raw scanned data is used by this program Scan parameters are printed on the report However when an active pointer is set to manipulated data the Scan parameters are not printed and leave blank 4 2 Starting of program 1 Start IRsolution Click the Macro tab to display the macro platform screen 3 Select Macro Open Macro Container to open Program Files YShimadzu YIRsolutionYMacrosYPharmaReport lcm The program is displayed in the macro toolbar 4 Select PharmaReport under the PharmaReport lcm and then select Macro Run to execute the program Note The program does not start even if the d button in the macro toolbar is dicked 5 The dialog box in Figure 4 1 opens E Plase Codes 5 Progam Peak ation Repor Cancel
48. sisted of two or more data is opened In this program data with an active pointer in the selected spectrum file is used to calculation An active pointer is usually set to the data treated at the end When an active pointer is not set to target data the file is opened with IRsolution and mouse s right button is clicked on the tree view Then select an active pointer of the displayed context menu and close the file Fi Program Files Shimadzu IR Active Dataset Cut d Polystyrenel Properties Interferogram Background Interferogram tert Display w Active Pointer ki Save Save as Export 21 Close 2 Clear Clear All Ja Merge A Peaktable Gr Paste Annotation Figure 2 1 Tree view and Active pointer 2 4 2 Scan parameters on Report When the Raw scanned data is used by this program Scan parameters are printed on the report However when an active pointer is set to manipulated data the Scan parameters are not printed and leave blank The reason is that Manipulated data does not indude scan parameters because it is not raw data Chapter 3 How to use of the program Report creating function The Report function creates an analysis report to compare a sample spectrum with a standard spectrum based on identification test in the pharmacopoeias Peak wavenumbers and peak ratios are calculated and
49. u print a report 3 9 000000 5 Yes D00000000 000 OOU O O OU U 3 10 00000000 U No gt DI 15 C Program FilesYShimadzuY RsolutionY data kyokuhou Sample smf ood 2003 08 07 15 25 20 00 20 0 4 1 cm 0000000 Happ Genzel 15 t 1 1750 5556 AT CX Program Filesy ShimadzuY1RsolutionXdataYkyokuhouXSTD smf 2003 08 07 14 50 30 DD 20 0 4 1 cm 0000000 Happ Genzel p DU am 1 cm 1 5 00 0 36 5 00 0 00 5 00 0 00 5 00 0 00 5 00 0 00 5 00 0 00 000 0000 A B 1 4584 14 0 3 1 0394 A C 0 9514 14 0 3 1 0397 B C 0 6524 14 0 3 1 0003
50. utionYMacrosYPharmaReport lcm The program is displayed in the macro toolbar 4 Select PharmaReport under the PharmaReport lcm and then select Macro Run to execute the program Note The program does not start even if the P button in the macro toolbar is clicked 5 The dialog box in Figure 5 1 opens LabControl Macro Language E Plase 5 Progam Peak Detection Pepa Coal Figure 5 1 Selection of program sd Button Content Printout Runs the Spectrum Comparison function Peak Detection Runs the Peak detection function Report Runs the Report creating function 6 Then dick lt Peak Detection gt to open the dialog box in Figure 5 2 and the Peak detection function for Pharmacopoeia starts Report Creation x Spectrum m Peak table Exit Load Peak Table Ew Edit Peak Table Figure 5 2 Peak detection function screen Button Content Load Sample Loads a sample spectrum Load Peak Table Loads a Peak table file which has already been made Edit Peak Table Creates Edits a Peak table file Detection Detects peak and creates a Report Exit Closes the program 5 3 Outline of the operation Theoutline of the operation of this program is as follows 1 Load a sample spectrum with lt Load Sample gt button 2 Load a Peak table file which has
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