Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c21b111519e98ee2528fd6a146c138e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 61.793,
"b": 44.679,
"c": 66.450,
"alpha": 90.00,
"beta": 117.27,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.710,1.310],
"number_observations_unique": 38073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.310],
"number_observations": 19786,
"number_observations_unique": 5487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.892
},
{
"type": "R(meas)",
"value": 1.052
},
{
"type": "R(pim)",
"value": 0.550
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.619
}
]
},
{
"resolution_limits": [26.710,4.160],
"number_observations": 3963,
"number_observations_unique": 1134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}