Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3812e5d378c34caee2cb02a7d9447a1c",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 176.75,
"b": 176.75,
"c": 176.75,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.290,1.740],
"number_observations": 1953412,
"number_observations_unique": 24831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 46.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 78.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.740],
"number_observations": 143082,
"number_observations_unique": 1803,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.965
},
{
"type": "R(meas)",
"value": 3.990
},
{
"type": "R(pim)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 79.400
},
{
"type": "CC(1/2)",
"value": 0.777
}
]
},
{
"resolution_limits": [53.290,7.780],
"number_observations": 22165,
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.003
},
{
"type": "I/SigI",
"value": 184.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 62.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}