Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6746e89aada4d05183cd3c0c863430ce",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 248.80,
"b": 65.70,
"c": 79.73,
"alpha": 90.00,
"beta": 98.79,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.500,3.000],
"number_observations": 760396,
"number_observations_unique": 25815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.483
},
{
"type": "R(meas)",
"value": 0.491
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 116234,
"number_observations_unique": 4119,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.257
},
{
"type": "R(meas)",
"value": 3.317
},
{
"type": "R(pim)",
"value": 0.617
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.200
},
{
"type": "CC(1/2)",
"value": 0.594
}
]
},
{
"resolution_limits": [48.500,9.000],
"number_observations": 28687,
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 31.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 28.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}