Control apparatus, system, method and program
A control apparatus, system, method, and program are provided that can efficiently acquire data significant for specifying the structure of a macromolecule in solution with a resolution greater than 30 Å. A control apparatus for controlling an X-ray analysis apparatus comprises a data converting section for converting sample solution data and reference solution data acquired from an X-ray analysis apparatus into profiles at each time, a first index calculating section for calculating a first index representing fluctuation in intensity calculated from a relationship between time and the intensity based on at least a profile of solution data of the converted profiles, a first index determining section for determining whether or not the calculated first index is within a predetermined range, and an apparatus controlling section for terminating measurement by the X-ray analysis apparatus when the first index is not within the predetermined range.
1 . A control apparatus for controlling an X-ray analysis apparatus, comprising:
processing circuitry configured to
convert sample solution data and reference solution data acquired from the X-ray analysis apparatus into profiles at each time,
calculate a first index representing fluctuation in intensity calculated from a relationship between time and the intensity based on at least a profile of solution data of the converted profiles,
determine whether or not the calculated first index is within a predetermined range, and
terminate measurement by the X-ray analysis apparatus when the first index is not within the predetermined range.
2 . The control apparatus according to claim 1 , wherein the processing circuitry is further configured to
calculate the first index with respect to a differential profile between a profile of the sample solution and a profile of the reference solution.
3 . The control apparatus according to claim 1 , wherein the processing circuitry is further configured to
calculate the first index with respect to a profile of the reference solution.
4 . The control apparatus according to claim 1 , wherein the processing circuitry is further configured to
calculate a second index indicating a ratio of the intensity data to the fluctuation of the intensity in the scattering angle direction based on an integrated profile of at least a solution data obtained from the converted profiles,
determine whether or not the calculated second index tends to increase, and
terminate the measurement by the X-ray analysis apparatus when the calculated second index does not tend to increase.
5 . The control apparatus according to claim 4 , wherein the processing circuitry is further configured to
calculate the second index with respect to a differential profile between a profile of the sample solution and a profile of the reference solution.
6 . The control apparatus according to claim 4 , wherein the processing circuitry is further configured to
calculate the second index with respect to a profile of the sample solution.
7 . The control apparatus according to claim 4 , wherein the processing circuitry is further configured to
determine whether or not the calculated second index is a threshold value or larger, and
terminate the measurement by the X-ray analysis apparatus when the calculated second index is a threshold value or larger.
8 . The control apparatus according to claim 1 , wherein the processing circuitry is further configured to
determine whether or not the measurement time is over a predetermined value, and
terminate the measurement by the X-ray analysis apparatus when the measurement time is over the predetermined value.
9 . The control apparatus according to claim 1 , wherein the processing circuitry is further configured to
adjust the scale so that the average values of the sample solution data and the reference solution data coincide with each other before the subtraction in the range on the wide angle side of the scattering vector.
10 . The control apparatus according to claim 1 , wherein the processing circuitry is further configured to
output a plot of the calculated first index with respect to time to an output device during measurement.
11 . The control apparatus according to claim 1 , wherein the processing circuitry is further configured to
output a plot of the calculated second index with respect to time to an output device during measurement.
12 . A system for performing X-ray analysis, comprising:
an X-ray analysis apparatus for irradiating a sample with X-rays and detecting a scattered image, and
the control apparatus according to claim 1 for controlling the X-ray analysis apparatus.
13 . A method for controlling an X-ray analysis apparatus, comprising the steps of:
converting sample solution data and reference solution data acquired from an X-ray analysis apparatus into profiles at each time,
calculating a first index representing fluctuation in intensity calculated from a relationship between time and the intensity based on at least a profile of solution data of the converted profiles,
determining whether or not the calculated first index is within a predetermined range, and
terminating measurement by the X-ray analysis apparatus in a case that the first index is not within the predetermined range.
14 . A non-transitory computer readable recording medium having recorded thereon a program for controlling an X-ray analysis apparatus, the program causing a computer to execute the processes of:
converting sample solution data and reference solution data acquired from an X-ray analysis apparatus into profiles at each time,
calculating a first index representing fluctuation in intensity calculated from a relationship between time and the intensity based on at least a profile of solution data of the converted profiles,
determining whether or not the calculated first index is within a predetermined range, and
terminating measurement by the X-ray analysis apparatus when the first index is not within the predetermined range.