Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a74e7c056b6bb60b872d59160c68bd3f",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.210,
"b": 71.210,
"c": 149.997,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.310,1.430],
"number_observations": 914743,
"number_observations_unique": 72079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.430],
"number_observations": 35510,
"number_observations_unique": 3652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.802
},
{
"type": "R(meas)",
"value": 0.846
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [29.310,7.560],
"number_observations": 6410,
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 42.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}