Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a35f923b1fea92ee6241a5bd9242274",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 113.375,
"b": 113.525,
"c": 158.904,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.220,2.600],
"number_observations": 253695,
"number_observations_unique": 62205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.344
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
"refln_shells": [
{
"resolution_limits": [2.670,2.600],
"number_observations_unique": 4381,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.194
},
{
"type": "R(meas)",
"value": 1.374
},
{
"type": "R(pim)",
"value": 0.673
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.110
}
]
},
{
"resolution_limits": [80.220,11.630],
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}