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PDB File Format v. 3.2 
Page 107 
REMARK 200                                                                       
REMARK 200 OVERALL.                                                              
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.3                                
REMARK 200  DATA REDUNDANCY                : 19.800                              
REMARK 200  R MERGE                    (I) : NULL                                
REMARK 200  R SYM                      (I) : 0.07500                             
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 17.0000                             
REMARK 200                                                                       
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                      
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90                      
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.97                      
REMARK 200  COMPLETENESS FOR SHELL     (%) : 83.4                                
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.00                                
REMARK 200  R MERGE FOR SHELL          (I) : NULL                                
REMARK 200  R SYM FOR SHELL            (I) : 0.65000                             
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.500                               
REMARK 200                                                                       
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH; MAD                          
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD                           
REMARK 200 SOFTWARE USED: SOLVE 2.02                                             
REMARK 200 STARTING MODEL: NULL                                                  
REMARK 200                                                                       
REMARK 200 REMARK: NULL 
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PDB File Format v. 3.2 
Page 108 
REMARK 205, Fiber Diffraction, Fiber Sample Experiment Details 
REMARK 205 is mandatory if data was obtained from a fiber diffraction - non-crystalline sample study 
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REMARK 205 
REMARK 205 THESE COORDINATES WERE GENERATED FROM FIBER DIFFRACTION 
REMARK 205 DATA.    PROTEIN DATA BANK CONVENTIONS REQUIRE THAT CRYST1 
REMARK 205 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES OF THESE 
REMARK 205 RECORDS ARE MEANINGLESS. 
REMARKs 210 and 215/217, NMR Experiment Details 
Remark 210 is mandatory if data was obtained from an NMR experiment. 
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REMARK 210 
REMARK 210 EXPERIMENTAL DETAILS 
REMARK 210  EXPERIMENT TYPE                : NMR 
REMARK 210  TEMPERATURE           (KELVIN) : 
REMARK 210  PH                             : 
REMARK 210 
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 
REMARK 210  SPECTROMETER FIELD STRENGTH    : 
REMARK 210  SPECTROMETER MODEL             : 
REMARK 210  SPECTROMETER MANUFACTURER      : 
REMARK 210 
REMARK 210      STRUCTURE DETERMINATION. 
REMARK 210       SOFTWARE USED             : 
REMARK 210       METHOD USED               : 
REMARK 210 
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : 
REMARK 210 
REMARK 210 REMARK: 
Example 
REMARK 210                                                                       
REMARK 210 EXPERIMENTAL DETAILS                                                  
REMARK 210  EXPERIMENT TYPE                : NMR                                 
REMARK 210  TEMPERATURE           (KELVIN) : 293                                 
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PDB File Format v. 3.2 
Page 109 
REMARK 210  PH                             : 7.0                                 
REMARK 210  IONIC STRENGTH                 : NULL                                
REMARK 210  PRESSURE                       : AMBIENT                             
REMARK 210  SAMPLE CONTENTS                : 4.0 MM PHYLLOSEPTIN-2,              
REMARK 210                                   TRIFLUOROETHANOL/WATER (60%/        
REMARK 210                                   40%)                                
REMARK 210                                                                       
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H TOCSY, 2D 1H-1H            
REMARK 210                                   NOESY, 2D 1H-13C HSQC, 2D 1H-       
REMARK 210                                   15N HSQC                            
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                             
REMARK 210  SPECTROMETER MODEL             : AVANCE DRX                          
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                              
REMARK 210                                                                       
REMARK 210  STRUCTURE DETERMINATION.                                             
REMARK 210   SOFTWARE USED                 : XWINNMR, NMRPIPE, NMRVIEW           
REMARK 210                                   5.0.4, X-PLOR_NIH 2.17.0,           
REMARK 210                                   MOLMOL 2K.2, PROCHECK 3.5.4         
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                 
REMARK 210                                                                       
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST          
REMARK 210                                   ENERGY                              
REMARK 210                                                                       
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1    
REMARK 210                                                                       
REMARK 210 REMARK: NULL         
REMARK 215 is necessary if data was obtained from a solution NMR experiment. 
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REMARK 215 
REMARK 215 NMR STUDY 
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION 
REMARK 215 NMR DATA.        PROTEIN DATA BANK CONVENTIONS REQUIRE THAT 
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON 
REMARK 215 THESE RECORDS ARE MEANINGLESS. 
Remark 217 is used in place of REMARK 215 if a Solid State NMR experiment was performed.  
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PDB File Format v. 3.2 
Page 110 
REMARK 217 
REMARK 217 SOLID STATE NMR STUDY 
REMARK 217 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLID 
REMARK 217 STATE NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT 
REMARK 217 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON 
REMARK 217 THESE RECORDS ARE MEANINGLESS. 
REMARK 230, Neutron Diffraction Experiment Details  
REMARK 230 is mandatory if data was obtained from a neutron diffraction study. The format of the 
date in this remark is DD-MMM-YY. DD is the day of the month (a number 01 through 31), MMM is 
the English 3-letter abbreviation for the month, and YY is the year. 
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REMARK 230 
REMARK 230 EXPERIMENTAL DETAILS 
REMARK 230  EXPERIMENT TYPE                : NEUTRON DIFFRACTION 
REMARK 230  DATE OF DATA COLLECTION        : 
REMARK 230  TEMPERATURE           (KELVIN) : 
REMARK 230  PH                             : 
REMARK 230  NUMBER OF CRYSTALS USED        : 
REMARK 230 
REMARK 230  NEUTRON SOURCE                 : 
REMARK 230  BEAMLINE                       : 
REMARK 230  WAVELENGTH OR RANGE        (A) : 
REMARK 230  MONOCHROMATOR                  : 
REMARK 230  OPTICS                         : 
REMARK 230 
REMARK 230  DETECTOR TYPE                  : 
REMARK 230  DETECTOR MANUFACTURER          : 
REMARK 230  INTENSITY-INTEGRATION SOFTWARE : 
REMARK 230  DATA SCALING SOFTWARE          : 
REMARK 230 
REMARK 230  NUMBER OF UNIQUE REFLECTIONS   : 
REMARK 230  RESOLUTION RANGE HIGH      (A) : 
REMARK 230  RESOLUTION RANGE LOW       (A) : 
REMARK 230  REJECTION CRITERIA  (SIGMA(I)) : 
REMARK 230 
REMARK 230 OVERALL. 
REMARK 230  COMPLETENESS FOR RANGE     (%) : 
REMARK 230  DATA REDUNDANCY                : 
REMARK 230  R MERGE                    (I) :  
REMARK 230  R SYM                      (I) :  
REMARK 230  <I/SIGMA(I)> FOR THE DATA SET  : 
REMARK 230 
REMARK 230 IN THE HIGHEST RESOLUTION SHELL. 
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PDB File Format v. 3.2 
Page 111 
REMARK 230  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 
REMARK 230  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 
REMARK 230  COMPLETENESS FOR SHELL     (%) : 
REMARK 230  DATA REDUNDANCY IN SHELL       : 
REMARK 230  R MERGE FOR SHELL          (I) :  
REMARK 230  R SYM FOR SHELL            (I) :  
REMARK 230  <I/SIGMA(I)> FOR SHELL         : 
REMARK 230 
REMARK 230 METHOD USED TO DETERMINE THE STRUCTURE: 
REMARK 230 SOFTWARE USED : 
REMARK 230 STARTING MODEL: 
REMARK 230 
REMARK 230 REMARK:  
Example 
REMARK 230                                                                       
REMARK 230 EXPERIMENTAL DETAILS                                                  
REMARK 230  EXPERIMENT TYPE                : NEUTRON DIFFRACTION                 
REMARK 230  DATE OF DATA COLLECTION        : 05-MAY-03                         
REMARK 230  TEMPERATURE           (KELVIN) : 293.0                               
REMARK 230  PH                             : 5.30                                
REMARK 230  NUMBER OF CRYSTALS USED        : 1                                   
REMARK 230                                                                       
REMARK 230  NEUTRON SOURCE                 : NULL                                
REMARK 230  BEAMLINE                       : NULL                                
REMARK 230  WAVELENGTH OR RANGE        (A) : 2.88                                
REMARK 230  MONOCHROMATOR                  : ELLASTICALLY BENT SILICON           
REMARK 230  OPTICS                         : MONOCHROMATOR                       
REMARK 230                                                                       
REMARK 230  DETECTOR TYPE                  : NEUTRON IMAGING PLATE               
REMARK 230  DETECTOR MANUFACTURER          : BIX-3                               
REMARK 230  INTENSITY-INTEGRATION SOFTWARE : DENZO                               
REMARK 230  DATA SCALING SOFTWARE          : SCALEPACK                           
REMARK 230                                                                       
REMARK 230  NUMBER OF UNIQUE REFLECTIONS   : 7001                                
REMARK 230  RESOLUTION RANGE HIGH      (A) : 2.400                               
REMARK 230  RESOLUTION RANGE LOW       (A) : 100.000                             
REMARK 230  REJECTION CRITERIA  (SIGMA(I)) : 1.000                               
REMARK 230                                                                       
REMARK 230 OVERALL.                                                              
REMARK 230  COMPLETENESS FOR RANGE     (%) : 92.5                                
REMARK 230  DATA REDUNDANCY                : NULL                                
REMARK 230  R MERGE                    (I) : 0.14300                             
REMARK 230  R SYM                      (I) : NULL                                
REMARK 230  <I/SIGMA(I)> FOR THE DATA SET  : NULL                                
REMARK 230                                                                       
REMARK 230 IN THE HIGHEST RESOLUTION SHELL.                                      
REMARK 230  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40                      
REMARK 230  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.49                      
REMARK 230  COMPLETENESS FOR SHELL     (%) : 82.1                                
REMARK 230  DATA REDUNDANCY IN SHELL       : NULL                                
REMARK 230  R MERGE FOR SHELL          (I) : 0.39500                             
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PDB File Format v. 3.2 
Page 112 
REMARK 230  R SYM FOR SHELL            (I) : NULL                                
REMARK 230  <I/SIGMA(I)> FOR SHELL         : 2.300                               
REMARK 230                                                                       
REMARK 230 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT         
REMARK 230 SOFTWARE USED : CNS                                                    
REMARK 230 STARTING MODEL: PDB ENTRY 1UCR                                        
REMARK 230                                                                       
REMARK 230 REMARK: NULL     
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Page 113 
REMARK 240 (updated), Electron Crystallography Experiment Details  
REMARK 240 is mandatory if data was obtained from an electron crystallography study.  
The format of the date in this remark is DD-MMM-YY. DD is the day of the month (a number 01 
through 31), MMM is the English 3-letter abbreviation for the month, and YY is the year. 
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REMARK 240  
REMARK 240 EXPERIMENTAL DETAILS                                                                      
REMARK 240   RECONSTRUCTION METHOD          : 
REMARK 240   SAMPLE TYPE                    : 
REMARK 240   SPECIMEN TYPE                  : 
REMARK 240 DATA ACQUISITION 
REMARK 240   DATE OF DATA COLLECTION        :  
REMARK 240   TEMPERATURE           (KELVIN) :  
REMARK 240   PH                             :  
REMARK 240   NUMBER OF CRYSTALS USED        :  
REMARK 240   MICROSCOPE MODEL               : 
REMARK 240   DETECTOR TYPE                  : 
REMARK 240   ACCELERATION VOLTAGE (KV)      : 
REMARK 240   NUMBER OF UNIQUE REFLECTIONS   : 
REMARK 240   RESOLUTION RANGE HIGH      (A) : 
REMARK 240   RESOLUTION RANGE LOW       (A) : 
REMARK 240   DATA SCALING SOFTWARE          : 
REMARK 240   COMPLETENESS FOR RANGE     (%) : 
REMARK 240   DATA REDUNDANCY                : 
REMARK 240   IN THE HIGHEST RESOLUTION SHELL                                      
REMARK 240   HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 
REMARK 240   HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 
REMARK 240   COMPLETENESS FOR SHELL     (%) : 
REMARK 240   DATA REDUNDANCY IN SHELL       : 
REMARK 240   R MERGE FOR SHELL          (I) : 
REMARK 240   METHOD USED TO DETERMINE THE STRUCTURE:  
REMARK 240   SOFTWARE USED                  : 
REMARK 240   STARTING MODEL                 :                  
Example 
REMARK 240                                                                       
REMARK 240 EXPERIMENTAL DETAILS                                                                      
REMARK 240   RECONSTRUCTION METHOD          : CRYSTALLOGRAPHY 
REMARK 240   SAMPLE TYPE                    : 2D CRYSTAL                 
REMARK 240   SPECIMEN TYPE                  : VITREOUS ICE (CRYO EM) 
REMARK 240 DATA ACQUISITION 
REMARK 240   DATE OF DATA COLLECTION        : 01-DEC-03                          
REMARK 240   TEMPERATURE           (KELVIN) : 300.0                                
REMARK 240   PH                             : 6.00                                 
REMARK 240   NUMBER OF CRYSTALS USED        : 286                                  
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REMARK 240   MICROSCOPE MODEL               : JEM3000SFF                           
REMARK 240   DETECTOR TYPE                  : CCD                                  
REMARK 240   ACCELERATION VOLTAGE (KV)      : 300                                  
REMARK 240   NUMBER OF UNIQUE REFLECTIONS   : 22293                                
REMARK 240   RESOLUTION RANGE HIGH      (A) : 1.9                                  
REMARK 240   RESOLUTION RANGE LOW       (A) : 20.000                               
REMARK 240   DATA SCALING SOFTWARE          : SOFTWARE 
REMARK 240   COMPLETENESS FOR RANGE     (%) : 80.0                                 
REMARK 240   DATA REDUNDANCY                : 5.700                                
REMARK 240   IN THE HIGHEST RESOLUTION SHELL.                                      
REMARK 240   HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90                       
REMARK 240   HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.0                        
REMARK 240   COMPLETENESS FOR SHELL     (%) : 82.0                                 
REMARK 240   DATA REDUNDANCY IN SHELL       : 5.70                                 
REMARK 240   R MERGE FOR SHELL          (I) : 0.166                                
REMARK 240   METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR                     
REMARK 240                                   REPLACEMENT                         
REMARK 240   SOFTWARE USED                  : CNS                                                    
REMARK 240   STARTING MODEL                 : PDB ENTRY 1SOR                                        
PDB File Format v. 3.2 
Page 115 
REMARK 245 (updated), Electron Microscopy Experiment Details  
REMARK 245 is mandatory if data was obtained from a EM study. The format of the date in this 
remark is DD-MMM-YY. DD is the day of the month (a number 01 through 31), MMM is the English 3-
letter abbreviation for the month, and YY is the year. 
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REMARK 245                                                                       
REMARK 245 EXPERIMENTAL DETAILS                                            
REMARK 245   RECONSTRUCTION METHOD          : 
REMARK 245   SPECIMEN TYPE                  : 
REMARK 245                                                                       
REMARK 245 ELECTRON MICROSCOPE SAMPLE                                            
REMARK 245   SAMPLE TYPE                    :  
REMARK 245   PARTICLE TYPE                  : 
REMARK 245   NAME OF SAMPLE                 :  
REMARK 245   SAMPLE CONCENTRATION (MG ML-1) :  
REMARK 245   SAMPLE SUPPORT DETAILS         :  
REMARK 245   SAMPLE VITRIFICATION DETAILS   :  
REMARK 245   SAMPLE BUFFER                  :  
REMARK 245   PH                             :  
REMARK 245   SAMPLE DETAILS                 :  
REMARK 245                                                                       
REMARK 245 DATA ACQUISITION                                                      
REMARK 245   DATE OF EXPERIMENT                :  
REMARK 245   NUMBER OF MICROGRAPHS-IMAGES      :  
REMARK 245   TEMPERATURE (KELVIN)              :  
REMARK 245   MICROSCOPE MODEL                  :  
REMARK 245   DETECTOR TYPE                     :  
REMARK 245   MINIMUM DEFOCUS (NM)              :  
REMARK 245   MAXIMUM DEFOCUS (NM)              :  
REMARK 245   MINIMUM TILT ANGLE (DEGREES)      :  
REMARK 245   MAXIMUM TILT ANGLE (DEGREES)      :  
REMARK 245   NOMINAL CS                        :  
REMARK 245   IMAGING MODE                      :  
REMARK 245   ELECTRON DOSE (ELECTRONS NM**-2)  :  
REMARK 245   ILLUMINATION MODE                 :  
REMARK 245   NOMINAL MAGNIFICATION             :  
REMARK 245   CALIBRATED MAGNIFICATION          :  
REMARK 245   SOURCE                            :  
REMARK 245   ACCELERATION VOLTAGE (KV)         :  
REMARK 245   IMAGING DETAILS                   :  
PDB File Format v. 3.2 
Page 116 
Example 
REMARK 245                                                                       
REMARK 245 EXPERIMENTAL DETAILS                                                  
REMARK 245   RECONSTRUCTION METHOD          : SINGLE PARTICLE                          
REMARK 245   SPECIMEN TYPE                  : VITREOUS ICE (CRYO EM) 
REMARK 245                                                                       
REMARK 245 ELECTRON MICROSCOPE SAMPLE                                            
REMARK 245   SAMPLE TYPE                    : PARTICLE 
REMARK 245   PARTICLE TYPE                  : MIXED SYMMETRY             
REMARK 245   NAME OF SAMPLE                 : BACTERIOPHAGE T4                   
REMARK 245   SAMPLE CONCENTRATION (MG ML-1) : 20.00                              
REMARK 245   SAMPLE SUPPORT DETAILS         : NULL                               
REMARK 245   SAMPLE VITRIFICATION DETAILS   : NULL                               
REMARK 245   SAMPLE BUFFER                  : H2O                                
REMARK 245   PH                             : 7.50                               
REMARK 245   SAMPLE DETAILS                 : PHAGE        
REMARK 245                                                                       
REMARK 245 DATA ACQUISITION                                                      
REMARK 245   DATE OF EXPERIMENT                : 06-JAN-02                     
REMARK 245   NUMBER OF MICROGRAPHS-IMAGES      : NULL                            
REMARK 245   TEMPERATURE (KELVIN)              : 100.00                          
REMARK 245   MICROSCOPE MODEL                  : FEI/PHILIPS CM300FEG/T          
REMARK 245   DETECTOR TYPE                     : NULL                            
REMARK 245   MINIMUM DEFOCUS (NM)              : 500.00                          
REMARK 245   MAXIMUM DEFOCUS (NM)              : 3400.00                         
REMARK 245   MINIMUM TILT ANGLE (DEGREES)      : 0.00                            
REMARK 245   MAXIMUM TILT ANGLE (DEGREES)      : 0.00                            
REMARK 245   NOMINAL CS                        : 1.40                            
REMARK 245   IMAGING MODE                      : BRIGHT FIELD                    
REMARK 245   ELECTRON DOSE (ELECTRONS NM**-2)  : 20.00                           
REMARK 245   ILLUMINATION MODE                 : SPOT SCAN                       
REMARK 245   NOMINAL MAGNIFICATION             : 45000                           
REMARK 245   CALIBRATED MAGNIFICATION          : 47000                           
REMARK 245   SOURCE                            : FIELD EMISSION GUN              
REMARK 245   ACCELERATION VOLTAGE (KV)         : 300
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