Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b7a698ce177b6abac5afb9f0889513c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.171,
"b": 64.311,
"c": 74.477,
"alpha": 90.00,
"beta": 125.91,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.170,2.210],
"number_observations": 89800,
"number_observations_unique": 21937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.210],
"number_observations": 6086,
"number_observations_unique": 1619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "R(meas)",
"value": 1.003
},
{
"type": "R(pim)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [37.170,9.110],
"number_observations": 1257,
"number_observations_unique": 335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 36.300
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}