C To convert CD_data from ascii format  to SELCON3
c Input INTERACTIVE -- File has wavelength, CDDATA   
c
	character*12 ifil
	character*4 name,ntitle(10)
	dimension cd(100),str(5)
c
	write(*,845)
845	format(/80('_')/)
	write(*,849)
849	format(/' This PROGRAM creates the input for SELCON3'//
     1   ' Some of the input values are INPUT interactively'/
     2   ' The CD data is read from a file with two values per line'/
     3   ' First value is the wavelength, second CD data '/
     4   ' The wavelength is in the same order as range: say 260-180'//
     5   ' COPY the TEST.DAT file Created to file: INPUT which',
     6   ' SELCON3  Reads'/)

	write(*,845)
	write(*,851)
851     format(/'  Do you want to create a new TEST.DAT file?',//
     1  '     If You Want to CREATE a NEW TEST.DAT file, TYPE 0',/
     2  '     If you want to APPEND the existing TEST.DAT file',
     3  '  TYPE 1'/)

	read(*,*)ifile
	OPEN (unit=7,file='test.dat')
c
	if (ifile.EQ.0) write(*,674)
	if (Ifile.NE.0) then
		write(*,673)           
89              read(7,100,end=90)
		goto 89
90              continue
		BACKSPACE (7)
	endif
673     FORMAT(//'  Data will be appended to existing TEST.DAT ')
674     FORMAT(//'  Any existing TEST.DAT will be overwritten ')
c
c  Initial Stuff: Title, Range, Skipping lines etc.
c
	write(*,845)
	write(*,91)
91      format(//'  Enter TITLE  for your data - 40 characters'//)
	read(*, 100) ntitle
	write(*,701) ntitle
701	format(' TITLE:',2x,10a4)
	write(*,845)
c
	write(*,522)
522	format(//'  The number of lines to be skipped in CD file'/
     1  '  Enter the number of CD values per nm'/
     2	'  IF the DATA is .. 240nm, 241nm, 242nm etc. enter 1'/
     3	'  IF the DATA is .. 240nm, 240.5nm, 241nm etc. enter 2'/
     4	'  IF the DATA is .. 240nm, 240.2nm, 240.4nm etc. enter 5'//)

	read(*,*)resln
	iskip = int(resln)
	write(*,703)iskip
703	format(/' Number of lines per nm in CD datafile',i4)

	write(*,845)
	write(*,524)
524	format(//'  INPUT INITIAL wavelength: '/)
	read(*,*)wav1
	wavini = wav1
	write(*,845)
	write(*,526)
526	format(//'  INPUT FINAL wavelength: '/)
	read(*,*)wav2
	wavfin = wav2
	write(*,706)wav1,wav2
706	format(' Wavelength Range: ',2f7.1,' nm')
	write(*,845)
c
	write(*,528)
528	format(//'  Is the CD data in Molar Ellipticity Units?'//
     1           '  IF IT IS TYPE 1; IF NOT TYPE 0'//
     2           '  If YOU TYPE 1 DATA WILL BE CONVERTED TO DELTA(e)'//)
	read(*,*)Delt
	write(*,845)
	if(Delt.EQ.0.0) write(*,622)
	if(Delt.NE.0.0) write(*,623)
622     format('  CD DATA IS ALREADY IN DELTA(e) UNITS.',
     1         ' NO CONVERSION DONE')
623     format('  CD DATA IS IN MOLAR ELLIPTICITY UNITS.'//,
     1         ' IT WILL BE CONVERTED TO DELTA(e) UNITS.'//)
        IF(Delt.EQ.0.0)Factor = 1.0
        IF(Delt.NE.0.0)Factor = 3300.0

c
c  INPUT FILE
c
	write(*,845)
	write(*, 116)
116     format(//' ASCII-file name (CD data)-MAX of 12 letters'/)
	read(*,109) ifil                
	write(*,708) ifil
708	format(' CD data is contained in File:', a12)
	OPEN(unit=3,file=ifil)
	rewind(3)

	nsec = 6
c
c And, loop for successive sets of data written to TEST.DAT
c

	write(*,845)
        if(wav1.GT.wav2) ncd = int(wav1-wav2) + 1
        if(wav1.LT.wav2) ncd = int(wav2-wav1) + 1
103     format(3f12.4)
	

	write(*,845)
	write(*,142)resln,iskip,ifil
142     format(//'  Step Resolution in JASCO file was',f6.2,
     1  /'   If it is not betn .05 and 1.0, collect data in this range',
     2  /'  Every ',i3,'-1 lines will be skipped in ',a12/)
	
       
109     format(a12)
	index=0
	do 10 j=1,ncd
		index=index+1
		read(3,*,end=202,err=203)wave,cd(index)
		write(*,*)index, j, wave, cd(index)
		cd(index)=(cd(index))/Factor
		  do 20 i=1,iskip-1
		     read(3,100,end=10)
20                continue
10             continue
c
c write out to TEST.DAT

	write(7,631)
631	format('#                                                  '/
     #         '# PRINT   Basis_1    Basis_2     Basis_3    SEGMENT'/
     1         '      0         1          0           0          1'/
     2	       '#                                                  '/
     3	       '# 1 Title Line                                     ')
	write(7,100)ntitle
c
	write(7,632)
632	format('#                                                  '/
     #         '#     WL_Begin     WL_End       Factor             ')
	Fact = 1.0
	If(wav1.GT.wav2) write(7,103)wav1,wav2,Fact
	If(wav2.GT.wav1) write(7,103)wav2,wav1,Fact
c
	write(7,633)
633	format('#                                                  '/
     #         '# CDDATA (Long->Short Wavelength; 260 - 178 LIMITS ')
	If(wav1.GT.wav2) write(7,400)(cd(i),i=1,ncd)
	If(wav2.GT.wav1) write(7,400)(cd(i),i=ncd,1,-1)
c
	write(7,634)
634	format('#                                                  '/
     #         '#  IGuess  Str1   Str2   Str3   Str4   Str5    Str6'/
     1         '        0                                          ')
	write(*,845)
	write(*,709)
709	format('  The INPUT file for SELCON is'/)
	write(*,845)
	write(*,631)
	write(*,100)ntitle
	write(*,632)
	If(wav1.GT.wav2) write(*,103)wav1,wav2,Fact
	If(wav2.GT.wav1) write(*,103)wav2,wav1,Fact
	write(*,633)
	If(wav1.GT.wav2) write(*,400)(cd(i),i=1,ncd)
	If(wav2.GT.wav1) write(*,400)(cd(i),i=ncd,1,-1)
	write(*,634)
c
	go to 933
201     write(*,301)
301     format('  END OF FILE: ',a12,'  CHECK INPUT -JASCO- file')
	stop
202     write(*,302)ifil,wav1,wav2,resln
302     format(//'  END OF FILE: ',a12,' CHECK input parameters',/
     1  /'  Wavelength range AND Step resolution',
     2  /'  Current values are: Range -',2f6.1,' Step Rsln-',f4.1)
	stop
203     write(*,303)ifil
303     format('  Error in reading CD data from ',a12,' check input')
	stop

933     continue
100     format(10a4)
400     format(10f8.3)
	end