Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b860a133fa97179a4796ed383b54d2c8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.58,
"b": 33.77,
"c": 78.35,
"alpha": 90.00,
"beta": 94.66,
"gamma": 90.00
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.09,1.590],
"number_observations_unique": 29393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.590],
"number_observations": 7734,
"number_observations_unique": 1607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.504
},
{
"type": "R(pim)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [48.420,8.730],
"number_observations": 1363,
"number_observations_unique": 239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}