Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8be37ae37dedc9d14008b7e3fbf53fc6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.354,
"b": 98.631,
"c": 58.802,
"alpha": 90.00,
"beta": 107.79,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.690,1.700],
"number_observations": 230552,
"number_observations_unique": 64757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 11116,
"number_observations_unique": 3370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.568
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
},
{
"resolution_limits": [48.690,9.000],
"number_observations": 1657,
"number_observations_unique": 469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}