Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b89a06f464331b08e76e49933d95bab",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.250,
"b": 98.851,
"c": 58.576,
"alpha": 90.00,
"beta": 107.61,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.610,2.000],
"number_observations": 138606,
"number_observations_unique": 40112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 10921,
"number_observations_unique": 3026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.769
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [48.610,8.940],
"number_observations": 1596,
"number_observations_unique": 477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 40.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}