Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c75593bdd06df7559930603c3bc69fa",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.808,
"b": 96.683,
"c": 58.005,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.000,1.880],
"number_observations": 115508,
"number_observations_unique": 19220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.880],
"number_observations": 4049,
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.247
},
{
"type": "R(meas)",
"value": 1.467
},
{
"type": "R(pim)",
"value": 0.754
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.345
}
]
},
{
"resolution_limits": [29.000,8.600],
"number_observations": 1468,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}