Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f9c6f780e05a8bd01e61b0ee7a1b372",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.002,
"b": 95.985,
"c": 57.074,
"alpha": 90.00,
"beta": 112.97,
"gamma": 90.00
},
"wavelengths": [1.07210],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.990,2.200],
"number_observations": 85935,
"number_observations_unique": 26023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 5719,
"number_observations_unique": 2105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "R(pim)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [47.990,9.070],
"number_observations": 1331,
"number_observations_unique": 381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}