Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1a6b1fc10a2ed6bdd3b33850210fd89",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.928,
"b": 41.905,
"c": 45.831,
"alpha": 90.00,
"beta": 115.57,
"gamma": 90.00
},
"wavelengths": [0.95360],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.344,2.400],
"number_observations_unique": 6054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 2067,
"number_observations_unique": 611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.983
},
{
"type": "R(meas)",
"value": 1.167
},
{
"type": "R(pim)",
"value": 0.623
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.570
}
]
},
{
"resolution_limits": [41.340,8.980],
"number_observations": 362,
"number_observations_unique": 126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}