Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d604180ea7a3f503f5d54210e675b9be",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.537,
"b": 62.769,
"c": 74.472,
"alpha": 90.00,
"beta": 126.52,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.970,1.670],
"number_observations": 209098,
"number_observations_unique": 49979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 9732,
"number_observations_unique": 2404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.556
},
{
"type": "R(meas)",
"value": 0.638
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [47.970,8.990],
"number_observations": 1204,
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 60.500
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}