Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b0a774165678ee08d901ef39d37137b",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 44.53,
"b": 108.07,
"c": 163.99,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.130,2.090],
"number_observations_unique": 24055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.090],
"number_observations": 17371,
"number_observations_unique": 1838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [81.990,9.100],
"number_observations": 2961,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 47.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}