Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e1782806ffe79826cd493d014f7c0ce",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 50.996,
"b": 31.312,
"c": 86.364,
"alpha": 90.00,
"beta": 101.35,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.340,1.800],
"number_observations": 51689,
"number_observations_unique": 12655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [42.340,8.990],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}