Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "55380e717ab4aad53b944ec5406adecf",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 56.259,
"b": 60.050,
"c": 77.990,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.050,1.200],
"number_observations_unique": 82782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 16045,
"number_observations_unique": 3781,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.886
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.282
}
]
},
{
"resolution_limits": [60.050,6.570],
"number_observations": 3864,
"number_observations_unique": 610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}