Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1cdae23978d4de21392729c81bb55efb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.48,
"b": 65.16,
"c": 84.41,
"alpha": 90.00,
"beta": 93.51,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.870,1.510],
"number_observations": 311895,
"number_observations_unique": 112615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.510],
"number_observations": 11107,
"number_observations_unique": 7167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "R(meas)",
"value": 0.858
},
{
"type": "R(pim)",
"value": 0.571
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 83.700
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.561
}
]
},
{
"resolution_limits": [54.870,6.750],
"number_observations": 4142,
"number_observations_unique": 1333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 36.000
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}