Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8dc4543cb6cbe2da47e495e75276b9bb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.120,
"b": 105.495,
"c": 53.317,
"alpha": 90.00,
"beta": 104.03,
"gamma": 90.00
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.080,2.200],
"number_observations": 187439,
"number_observations_unique": 26766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 16572,
"number_observations_unique": 2307,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.237
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.450
}
]
},
{
"resolution_limits": [29.080,9.070],
"number_observations": 2595,
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 36.200
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}