Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0bc4e89b6715b4222176fce518e443fc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 135.98,
"b": 50.36,
"c": 95.74,
"alpha": 90.00,
"beta": 111.92,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.070,2.520],
"number_observations": 76647,
"number_observations_unique": 20378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.520],
"number_observations": 5285,
"number_observations_unique": 1457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.725
},
{
"type": "R(meas)",
"value": 0.852
},
{
"type": "R(pim)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.703
}
]
},
{
"resolution_limits": [63.070,11.270],
"number_observations": 803,
"number_observations_unique": 244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}