Crystal_impact_software برامج علوم البلورات وحيود الاشعة السينية

المصدر: Crystal_impact_software برامج علوم البلورات وحيود الاشعة السينية
في منتدى : قسم البرامج العلمية

السلام عليكم ورحمة الله وبركاته
الموضوع عبارة عن اربعة برامج في علوم البلورات crystallography وحيود الاشعة السينية

البرنامج الاول هو Crystal_Impact_Match_V1.11

يعتبر هذا البرنامج من برامنج حيود الاشعة السينية حيث يقوم بعمل مطابقة( للتأكد من عمليات التحول الطوري ) يحتاج البرنامج الى قاعدة بيانات حيود الاشعة السينية اما ICDD PDF2 database 2004 لسنة 2004 كحد ادنى وهي غير متوفرة ​

او يمكن استخدام قاعدة بيانات علوم البلورات والحيود crystallography open database (COD ) وهي متوفرة وبأخر تحديث (4 july 2011) ومتوفرة ادناه ( وهي قاعدة بيانات كافية تغني عن استخدام قاعدة البيانات ICDD PDF2 database 2004 ) ​

وكذلك يمكن استخدام قاعدة بيانات : AMCSD (American Mineralogist Crystal Structure Database) ​

Match! is an easy-to-use software for phase identification from powder diffraction data, which has become a daily task in material scientists work. Match! compares the powder diffraction pattern of your sample to a database containing reference patterns in order to identify the phases which are present. Single as well as multiple phases can be identified based on both peak data and raw (profile) data.

As reference database, you can apply the included free-of-charge COD database and/or ICSD/Retrieve (if you have a valid licence), use any ICDD PDF product, and/or create a user database based on your own diffraction patterns. The user database patterns can be edited manually, imported from peak files, calculated from crystal structure data (e.g. CIF files), or imported from your colleague's user database.
Direct linke

Crack only


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ولتحميل قاعدة البيانات الحيود
Crystallography Open Database(COD) (892.2MB):
COD inorganic compounds only (77.9 MB):

Features:

• Fast single and multiple phase identification from powder diffraction data
• Use free-of-charge reference patterns calculated from the COD (incl. I/Ic), any ICDD PDF database, any ICSD/ Retrieve version (release 1993-2002; valid licence required) and/or your own diffraction data in phase identification
• Comfortable user database manager for easy maintenance of user data (add/import/edit/delete/sort entries)
• Fully integrated handling of your own diffraction data with PDF or other reference data (search-match, retrieval, data viewing)
• Automatic residual searching with respect to identified phases
• Automatic raw data processing including peak searching, profile fitting and 2theta error correction
• Comfortable editing of peaks (add/shift/delete/fit to exp. profile)
• Semi-quantitative analysis (Reference Intensity Ratio method)
• Straight-forward usage of additional knowledge (composition, crystallographic data, color, density etc.)
• Multiple step undo/redo
• Large variety of supported diffraction data file formats

System requirements:

• Microsoft Windows 98, ME, NT4, 2000, XP, Vista or Windows 7
• Microsoft Internet Explorer 5.01 (or higher)
• 128 MB of RAM (256 MB recommended)
• 600 MB of free disc space
• Supported diffraction data file formats (automatic recognition):

 

البرنامج الثاني هو crystal_impact_diamond_3.2e وهو برنامج مهم لرسم البلورات وعمل التصورات وبعض الحسابات على التركيب البلوري
Diamond_Crystal_and_Molecular_Structure _Visualization

Diamond is outstanding molecular and crystal structure visualization software. It integrates a multitude of functions, which overcome the work with crystal structure data - in research and education as well as for publications and presentations.

Diamond does not only draw nice pictures of molecular and crystal structures like most of its competitive programs do. It offers an extensive set of functions that let you easily model any arbitrary portion of a crystal structure from a basic set of structural parameters (cell, space group, atomic positions).

With its high data capacity, its wide range of functions beginning with the generation of molecules reaching up to the construction of rather complicated inorganic structural frameworks, Diamond is a comprehensive tool for both molecular and solid state chemists as well as for surface and material scientists

Features
Multiple structure data sets, multiple pictures
The new Diamond 3 document format enables storage of multiple structure data sets as well as multiple structure pictures. New desktop elements are:

• the table of data sets,
• an overview of pictures (as thumbnails) associated with a dataset or with the whole document,
• the navigation tree,
• several new views (powder pattern, distances and angles, properties, etc.).

Powder pattern simulation
Powder diffraction data can now be calculated and displayed in both table and diagram. Table and diagram update automatically when structure parameters change.

Properties pane and more auxiliary views
The new Properties pane shows informations in context with the current situation, e.g. properties of the selected atom, distances around the selected atom, centroid or best plane or line through selected atoms, and many more.
Distances and angles table now provide histograms and statistics.
The data brief for a short overview of structure parameter data.
The Info Tip window gives you information about the object under the mouse cursor.

Individual assignment of model
In Diamond 2, the model (ball-and-stick, space-filling etc.) was a global setting. Now it can be assigned individually to selected atoms. That means you can display ball-and-stick, space-filling, ellipsoid, and sticks or wires in one and the same picture.

Create POV-Ray scenes
The POV-Ray assistant helps you to create photo-realistic pictures for this outstanding, free available ray-tracer, with features like textures, background, ray-tracing, multiple light sources, etc.

Geometry enhancements: Planes, lines and more
Planes can now be defined by hkl or as (best) plane through a set of three or more atoms (or a line through two or more atoms). The planarity (linearity) can be checked.
Besides this, distances of atoms from planes or lines as well as angles between planes and/or lines can be calculated or measured interactively.

More features and enhancements

• Assistant for creation of animation scenes,
• walk-through mode,
• composition of pictures from different data sets,
• support of "molecular data" (structure data with no cell and symmetry),
• a step-by-step assistant for users who are not so familiar with Diamond,
• an automatic picture creation,
• cut/copy/paste between structures and pictures,
• printout of multiple pictures per page,
• and more
• 
  

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البرنامج الثالث هو crystal_impact_endeavour_v1.7e
_Endeavour
_Structure_Solution_from_Powder_Diffraction

Endeavour is a powerful software for crystal structure solution, both from powder as well as single crystal diffraction data. Based on more than ten years of experience, the software is capable of solving many small to medium sized structures more or less on its own. The innovative concept combined with the elaborate user interface makes solution of crystal structures an almost routine process, especially for inorganic but also for many organic compounds.
Even unexperienced users can prepare and perform the structure solution calculation in a few steps: Simply follow the integrated "wizard" to enter the required data (unit cell parameters, chemical composition, diffraction data), and let Endeavour do the rest. The structure solution is performed using a special variant of the "direct-space" approach, namely a combined global optimization of the difference between calculated and observed diffraction data and of the potential energy of the system. Due to the additional usage of the potential energy, the method is much less sensitive to low-quality diffraction data than e.g. direct methods.
Features








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البرنامج الرابع هو Pearson's_Crystal_Data
is a crystallographic database, edited by Pierre Villars and Karin Cenzual. It is published by ASM International, Materials Park, Ohio, USA. The "PCD" (as it is typically abbreviated) contains crystal structures of a large variety of inorganic materials and compounds. The collaboration between ASM International and Material Phases Data System, Vitznau, Switzerland (MPDS), aims to create and maintain the world's largest critically evaluated "Non-organic database".

مشاهدة المرفق 47555 ​

 

شكرا :gift::gift:
وبارك الله فيك

 

شكرا شكرا

 

شكرا شكرا :gift:

 

شكرا على مرورك
وشكرا على تقييمك للموضوع
وجزاك الله الجنة

 

شكرا جزيلا لكم أخوي
الله يجزاك الجنة كما أثلجت صدري
فعلا برامج رائعة كنت في امس الحاجة لها

​

 

شكرا اخى على البرامج القيمه
ولكن لى سؤال على البرنامج الاول Crystal_Impact_Match
هل هناك برنامج لتحويل امتداد الصوره (chart for mineral) من jpg الى rd
لان لدى صور المعادن كلها لل XRD بامتداد jpg

 

الأخ ابو لوما
هل المقصود بــ(chart for mineral) هو XRD pattern كما في المرفق ( صورة 1 )
مشاهدة المرفق 51666
اذا الحل هو استخدام برنامج GetData الموجود في هذا المنتدى في احد مشاركات الاخ علاء العنزي (في برامج كلية العلوم )

والنتيجة تحصل على ملف txt يحتوي على عمودين هما 2theta و Intensity كما في المرفقات 2 و 3
ومن ثم استخدام هذا الملف (txt) في برنامج crystal impact match
مشاهدة المرفق 51667 مشاهدة المرفق 51668

ملاحظة
يوجد برنامج لتحويل جميع صيغ ال XRD مثلا من .udx الى xrd وبالعكس وغيرها من الصيغ الخاصة بأجهزة حيوج الاشعة السينية والبرنامج اسمة convX ولكن لا يحول الصور الى xrd

 

اخر تحديث لقاعدة بيانات علوم البلورات والحيود Crystallography Open Database(COD) الخاصة ببرنامج crystal impact match
بتاريخ 19/ 10 / 2011

 

مشكور اخى نذير على اهتمامك وردك
فعلا هذا ما اقصده
جارى التجربه
وجزاك الله كل خير

 

لو سمحتم عايز طريقة استخدام ماتش ضروري ولو العينة نحاس الومنيوم زنك اعملها ازاي ويا ريت بالصور وجزاكم الله خيرا

 

مسا الخير اخي
كيف بدي حمل هالبرنامج
ماعندي خبرة كيف احمله , اذا ممكن تساعدني
و شكرا

 

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