Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8fad5b4673a0032f67d1cb47e2180dd",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.279,
"b": 70.220,
"c": 85.490,
"alpha": 102.36,
"beta": 96.23,
"gamma": 112.60
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.680,2.080],
"number_observations": 242183,
"number_observations_unique": 70669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.080],
"number_observations": 15527,
"number_observations_unique": 4355,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.102
},
{
"type": "R(meas)",
"value": 2.478
},
{
"type": "R(pim)",
"value": 1.298
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.319
}
]
},
{
"resolution_limits": [81.680,9.970],
"number_observations": 2490,
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 27.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}