Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ea9908cc37e21ddea09552040da8d3a",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.402,
"b": 95.402,
"c": 45.746,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.240,1.230],
"number_observations": 580633,
"number_observations_unique": 57173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.250,1.230],
"number_observations": 4384,
"number_observations_unique": 1875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.993
},
{
"type": "R(meas)",
"value": 1.267
},
{
"type": "R(pim)",
"value": 0.773
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 63.100
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.340
}
]
},
{
"resolution_limits": [41.240,6.740],
"number_observations": 5002,
"number_observations_unique": 401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 112.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}