Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "879a8ab625b0db37f7ba4512d5f876d8",
"space_group_name": "P 1",
"unit_cell": {
"a": 73.450,
"b": 73.630,
"c": 131.008,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.940,1.85],
"number_observations_unique": 147738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.071,1.863],
"number_observations": 8651,
"number_observations_unique": 1947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.793
},
{
"type": "R(meas)",
"value": 0.893
},
{
"type": "R(pim)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 79.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [48.940,6.003],
"number_observations": 9571,
"number_observations_unique": 1945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}