Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "307740f98d3b51f0ecbf792fa849153e",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.028,
"b": 70.153,
"c": 85.181,
"alpha": 102.78,
"beta": 95.72,
"gamma": 112.55
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.290,2.020],
"number_observations": 260894,
"number_observations_unique": 76278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.020],
"number_observations": 15213,
"number_observations_unique": 4380,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.071
},
{
"type": "R(meas)",
"value": 2.457
},
{
"type": "R(pim)",
"value": 1.304
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
},
{
"resolution_limits": [81.290,10.100],
"number_observations": 2415,
"number_observations_unique": 622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}