Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e5db70012d0893639d20256aec57d0fb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.109,
"b": 62.914,
"c": 74.189,
"alpha": 90.00,
"beta": 126.49,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.960,1.590],
"number_observations": 240848,
"number_observations_unique": 58236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.590],
"number_observations": 10990,
"number_observations_unique": 2791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.564
},
{
"type": "R(meas)",
"value": 0.651
},
{
"type": "R(pim)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [47.960,8.710],
"number_observations": 1216,
"number_observations_unique": 348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 65.300
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}