Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "636b93d7b4d52668623fcd985a639512",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 161.307,
"b": 46.186,
"c": 116.692,
"alpha": 90.00,
"beta": 121.92,
"gamma": 90.00
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.070,2.280],
"number_observations": 165386,
"number_observations_unique": 32352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.280],
"number_observations": 15489,
"number_observations_unique": 3025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.955
},
{
"type": "R(meas)",
"value": 1.062
},
{
"type": "R(pim)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [46.070,8.850],
"number_observations": 2699,
"number_observations_unique": 579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}