Routine MoKα data collection


Routine MoKα data collection on the D8 Venture

This tutorial covers how to collect a high-quality dataset from a well-diffracting crystal. If you are a novice you might need to refer to each section in detail as you proceed. As you gain experience, much of this should become second nature. A seasoned crystallographer would likely breeze through the whole of this exercise in just a few minutes, and would change some details subject to their own preferred practices. There's more than one way to skin a cat, as the saying goes. The steps are arranged so that you can jump in at any point, depending on where you are in the process. For example, if you already have a mounted crystal, feel free to skip to part 8. There is no reason why any synthetic chemist should not be able to produce crystallographic results that withstand peer review. All you need is to do it well.

The descriptions that follow might seem detailed but they barely scratch the surface. This simple guide is not intended to be exhaustive - it can't cover everything. It does cover most of what you need to know to be successful with a routine crystal, but not much else.

You should be prepared to seek professional help, experiment, add detail, and even use your brain. Many crystals are not routine, but that does not necessarily mean they are difficult. Some crystals appear to be routine but are not. The D8 Venture is quite a powerful instrument, and is capable of dealing with crystals that would have been rejected in most laboratories just a few years ago.




1: Make sure the low-temperature machine is running
2: Check the X-rays are on and at operating power
3: Prepare the diffractometer for mounting
4: Find a suitable mounting pin
5: Prepare to mount a crystal
6: Choose the most suitable crystal
7: Mount and centre the crystal
8: Inspect the diffraction pattern using a fast scan
9: Index the crystal using the fast scan
--Normally you'd try a quick structure solution here to see if a full dataset is warranted--
10: Set up a full data collection

Return to the main Tutorials page or to the main X-Ray Lab page