Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa819f79fa0c810c2e2795967ed79465",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.963,
"b": 27.256,
"c": 56.229,
"alpha": 90.00,
"beta": 99.76,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.440,1.210],
"number_observations": 171204,
"number_observations_unique": 29765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 79.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [1.230,1.210],
"number_observations": 964,
"number_observations_unique": 451,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.565
},
{
"type": "R(meas)",
"value": 5.481
},
{
"type": "R(pim)",
"value": 2.988
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 23.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.067
}
]
},
{
"resolution_limits": [55.440,6.520],
"number_observations": 1489,
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 48.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
}
]
}