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371 lines
9.0 KiB
Markdown
371 lines
9.0 KiB
Markdown
CATima library manual
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=====================
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Units
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------
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The following units are used for input and outputs:
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* projectile energy - MeV/u
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* density - g/cm^3
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* material thickness - g/cm^2
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* material length - cm
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* angle - rad
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* time of flight - ns
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Projectile
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----------
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The __Projectile__ class is used to store projectile data.
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Each projectile must provide A,Z combination, additionally charge state can be set as well.
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The example of projectile definition:
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```cpp
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catima::Projectile p1(12,6); //12C projectile
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catima::Projectile p2(12,6,5); //12C(5+) projectile
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```
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to set the energy of the projectile in MeV/u units:
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```cpp
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p1.T = 1000.0;
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p2(1000.0);
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```
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Material Definition
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-------------------
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The material is defined and stored in __Material__ class.
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The class stores the atom constituents, thickness and density of the material etc.
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There are 2 ways to define materials: specifying all elements in constructor or using `add_element(double, int, double)` function.
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The example of water definition:
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```cpp
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catima::Material carbon({0,6,1}); // carbon with elemental atomic weight
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catima::Material water1({
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{1,1,2}, // {weight, Z, stn or weight fraction}
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{16,8,1}
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});
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water1.density(1.0);
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water1.thickness(2.0);
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water1.I(78.); // set custom ionization potential in eV
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catima::Material water2;
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water2.add_element(1,1,2);
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water2.add_element(16,8,1);
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water2.density(1.0).thickness(2.0);
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```
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If mass number is equal to 0, the mass number of the element is taken as atomic weight of the element.
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Compound elements can be defined either via stoichiometric number or via weight fraction. If the number is less than 1
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it is assumed weight fraction is being used, otherwise stoichiometric number or molar fraction is being used.
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```cpp
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catima::Material air ({{0,7,0.755267},{0,8,0.231781},{0,18,0.012827},{0,6,0.000124}},0.001205); // weight fractions
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catima::Material water ({{0,1,2},{0,8,1}},1); // mole fraction
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```
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### predefined materials ###
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If the library is compiled with predefined materials database, the Material can be retrieved from the database as:
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```cpp
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using namespace catimal
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Material water = get_material(material::WATER);
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Material graphite = get_material(6);
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```
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The list of predefined material can be found at __material_database.h__ file
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Calculation
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-----------
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To calculate all observable following function can be used:
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```cpp
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Result calculate(Projectile &p, const Material &t, double T, Config c)
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Result calculate(Projectile &p, const Material &t, Config c)
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```
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Both function returns structure ___Result___ which contains all calculated variables.
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```cpp
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struct Result{
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double Ein=0.0;
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double Eout=0.0;
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double Eloss = 0.0;
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double range=0.0;
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double dEdxi=0.0;
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double dEdxo=0.0;
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double sigma_E=0.0;
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double sigma_a=0.0;
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double sigma_r=0.0;
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double tof=0.0;
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};
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```
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If one is interested only in one of the variable, the following function can be used:
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```cpp
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double dedx(Projectile &p, double T, const Material &t, Config c=default_config);
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double domega2dx(Projectile &p, double T, const Material &t, Config c=default_config);
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double range(Projectile &p, double T, const Material &t, Config c=default_config);
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double range_straggling(Projectile &p, double T, const Material &t, Config c=default_config);
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double angular_straggling(Projectile &p, double T, const Material &t, Config c=default_config);
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```
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Example calculation:
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```cpp
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...
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double T=1000;
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auto result = catima::calculate(p1(1000),water1);
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cout<<"T "<<T<<", dEdx = "<<result.dEdxi<<" MeV/g/cm2"<<", range = "<<result.range<<" g/cm2"<<endl;
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```
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Multilayer Material
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-------------------
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The layers of __Materials__ are stored in __catima::Layers__ class.
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There are following ways to define Layers from catima::Material classes:
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```cpp
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catima::Material graphite({12,6,1});
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catima::Material nitrogen({14,7,1});
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...
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catima::Layers matter1;
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matter1.add(graphite);
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matter1.add(nitrogen);
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matter1.add(graphite);
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cout<<"number of layers = "<<matter1.num()<<"\n"; // 3
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```
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Layers can be copied from existing Layes:
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```cpp
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catima::Layers matter2;
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matter2 = matter1; //matter2 contain 3 layers
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matter2.add(nitrogen);
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matter2.add(graphite); //matter2 contains 5 layers now
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```
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Layers can be created as a combination of another Layers:
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```cpp
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catima::Layers matter3 = matter1 + matter2;
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```
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Config
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------
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The calculation configuration is set via catima::Config class. The dafault configuration is predefined in __catima::default_config__ variable.
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This __default_config__ is supplied as default argument to functions like catima::calculate. If custom config is needed another configuration can be provided.
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the structure Config is defined as:
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```cpp
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struct Config{
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#ifndef GLOBAL
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unsigned char z_effective=z_eff_type::pierce_blann;
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#else
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unsigned char z_effective=z_eff_type::atima14;
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#endif
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#ifdef REACTIONS
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unsigned char skip=skip_none;
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#else
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unsigned char skip=skip_calculation::skip_reactions;
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#endif
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unsigned char corrections = 0;
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unsigned char calculation = 1;
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};
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```
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### effective charge calculation###
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the following effective charge calculations are buit in:
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```
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enum z_eff_type:char {
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none = 0,
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pierce_blann = 1,
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anthony_landorf = 2,
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hubert = 3,
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winger = 4,
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schiwietz = 5,
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global = 6,
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atima14 = 7
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}; hubert = 3
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```
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* z_eff_type::none - the provided Projectile Q is used as a charge
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* z_eff_type::pierce_blann - Pierce Blann formula, using function: z_eff_Pierce_Blann()
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* z_eff_type::anthony_landorf - function: z_eff_Anthony_Landorf()
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* z_eff_type::hubert - function: z_eff_Hubert()
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* z_eff_type::winger - function: z_eff_Winger()
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* z_eff_type::global - function: z_eff_global()
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* z_eff_type::atima14 - function: z_eff_atima14()
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All available switches are defined in __config.h__ file.
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Using the library
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=================
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the include direcotry and LD_LIBRARY_PATH must be properly adjusted.
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The app must be linked against catima library.
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For example check examples directory and makefile inside to see how to link.
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All functions and classes are inside __catima namespace__
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Normally including main file is enough:
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```cpp
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#include "catima/catima.h"
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```
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Using with C
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-------------
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the C wrapper is provided in cwapper.h, this file can be included in C app. The C app must be then linked against catima library.
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It provides only basic interface.
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Compound Pre-defined Materials
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==============================
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The predefined compound material can be used using the __Z__ field as an ID of the compound.
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The following are supported:
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```
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Plastics = 201,
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Air = 202,
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CH2 = 203,
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LH2 = 204,
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LD2 = 205,
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Water = 206,
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Diamond = 207,
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Glass = 208,
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ALMG3 = 209,
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ArCO2_30 = 210,
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CF4 = 211,
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Isobutane = 212,
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Kapton = 213,
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Mylar = 214,
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NaF = 215,
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P10 = 216,
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Polyolefin = 217,
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CmO2 = 218,
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Suprasil = 219,
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HAVAR = 220,
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Steel = 221,
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CO2 = 222,
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CH4 = 223,
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Methanol = 224,
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Acetone = 225,
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Acetylene = 226,
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Adenine = 227,
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Adipose_Tissue = 228,
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Alanine = 229,
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Bakelite = 230,
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AgBr = 231,
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AgCl = 232,
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AgI = 233,
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Al2O3 = 234,
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Amber = 235,
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Ammonia = 236,
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Aniline = 237,
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Anthracene = 238,
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A_150 = 239,
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B_100 = 240,
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BaF2 = 241,
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BaSO4 = 242,
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Benzene = 243,
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BeO = 244,
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BGO = 245,
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Blood = 246,
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Bone_Compact = 247,
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Bone_Cortical = 248,
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Brain_ICRP = 249,
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B4C = 250,
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BC400 = 251,
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nButanol = 252,
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C_552 = 253,
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CdTe = 254,
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CdWO4 = 255,
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CaCO3 = 256,
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CaF2 = 257,
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CaO = 258,
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CaWO4 = 259,
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CsF = 260,
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CsI = 261,
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CCl4 = 262,
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C2Cl4 = 263,
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Cellophane = 264,
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Chlorobenzene = 265,
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Chloroform = 266,
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Cyclohexane = 267,
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Concrete = 268,
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Diethyl_Ether = 269,
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Ethane = 270,
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Ethanol = 271,
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Ethylene = 272,
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Eye_lens = 273,
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Fe2O3 = 274,
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FeO = 275,
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Freon12 = 276,
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Freon12B2 = 277,
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Freon13 = 278,
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Freon13B1 = 279,
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Freon13I1 = 280,
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Gd2O2S = 281,
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GaAs = 282,
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Gel_Photo_Emulsion = 283,
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Glass_Pyrex = 284,
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Glass_Lead = 285,
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Glucose = 286,
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Glutamine = 287,
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Glycerol = 288,
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Guanine = 289,
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Gypsum = 290,
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nHeptane = 291,
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nHexane = 292,
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KI = 293,
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K2O = 294,
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LaBr3 = 295,
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LaOBr = 296,
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La2O2S = 297,
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Lung = 298,
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MgCO3 = 299,
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MgF2 = 300,
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MgO = 301,
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MS20_Tissue = 302,
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Muscle_skeletal = 303,
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Muscle_strained = 304,
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Muscle_sucrose = 305,
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Muscle_no_sucrose = 306,
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Na2CO3 = 307,
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NaI = 308,
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NaCl = 309,
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Na2O = 310,
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NaNO3 = 311,
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Naphthalene = 312,
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Nitrobenzene = 313,
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N2O = 314,
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Octane = 315,
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Paraffin = 316,
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nPentane = 317,
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PhotoEmulsion = 318,
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PuO2 = 319,
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Polyacrylonitrile = 320,
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Polycarbonate = 321,
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PMMA = 322,
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POM = 323,
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Polypropylene = 324,
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Polystyrene = 325,
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Propane = 326,
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nPropanol = 327,
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PVC = 328,
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Pyridine = 329,
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SiO2 = 330,
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Skin = 331,
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Sucrose = 332,
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Teflon = 333,
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TlCl = 334,
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Toluene = 335,
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Trichloroethylene = 336,
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WF6 = 337,
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UC2 = 338,
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UC = 339,
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UO2 = 340,
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Urea = 341,
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Valine = 342
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```
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