Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d9a9a3c19f613775d12c4a0a30eb7b0",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.409,
"b": 95.409,
"c": 45.847,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.450,1.360],
"number_observations": 534013,
"number_observations_unique": 44412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.360],
"number_observations": 13723,
"number_observations_unique": 2164,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.478
},
{
"type": "R(meas)",
"value": 2.708
},
{
"type": "R(pim)",
"value": 1.076
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.322
}
]
},
{
"resolution_limits": [67.450,7.450],
"number_observations": 3653,
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 62.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}