Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "dae6e9954ab82e1bf50ae791e8391214",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.002,
"b": 48.146,
"c": 70.218,
"alpha": 90.00,
"beta": 90.62,
"gamma": 90.00
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.710,1.540],
"number_observations": 299990,
"number_observations_unique": 43937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.540],
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.918
},
{
"type": "R(meas)",
"value": 2.116
},
{
"type": "R(pim)",
"value": 0.877
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.415
}
]
},
{
"resolution_limits": [39.710,8.280],
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 32.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
}
]
}