Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1fbdd67c2c8908b14959f9a136039234",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 103.50,
"b": 103.50,
"c": 127.51,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.950,2.280],
"number_observations": 372214,
"number_observations_unique": 36445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.280],
"number_observations": 27128,
"number_observations_unique": 2662,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.652
},
{
"type": "R(meas)",
"value": 1.741
},
{
"type": "R(pim)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [51.950,10.200],
"number_observations": 4149,
"number_observations_unique": 476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 57.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}