Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e2de8bd3de8e01e178ec25d250312935",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.129,
"b": 70.188,
"c": 85.558,
"alpha": 102.74,
"beta": 96.23,
"gamma": 112.41
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.410,1.950],
"number_observations": 287806,
"number_observations_unique": 84526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.950],
"number_observations": 13306,
"number_observations_unique": 4264,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.429
},
{
"type": "R(meas)",
"value": 1.733
},
{
"type": "R(pim)",
"value": 0.960
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.418
}
]
},
{
"resolution_limits": [81.410,10.340],
"number_observations": 2281,
"number_observations_unique": 586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 38.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}