Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "63855b8cbef7b1a43f9a66aab2adf399",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 85.381,
"b": 73.582,
"c": 115.796,
"alpha": 90.00,
"beta": 99.98,
"gamma": 90.00
},
"wavelengths": [0.98013],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.9,2.130],
"number_observations_unique": 78707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.130],
"number_observations": 26594,
"number_observations_unique": 7695,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.324
},
{
"type": "R(meas)",
"value": 1.567
},
{
"type": "R(pim)",
"value": 0.830
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.411
}
]
},
{
"resolution_limits": [47.720,8.250],
"number_observations": 4253,
"number_observations_unique": 1411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 31.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}