Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "707175b646a540fe40b94c89fc94b09f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.069,
"b": 27.088,
"c": 55.915,
"alpha": 90.00,
"beta": 100.38,
"gamma": 90.00
},
"wavelengths": [0.91270],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.870,1.180],
"number_observations": 75717,
"number_observations_unique": 29598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 74.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.240,1.180],
"number_observations": 4129,
"number_observations_unique": 3375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "R(meas)",
"value": 0.554
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 59.700
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [39.870,3.730],
"number_observations": 4048,
"number_observations_unique": 1274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}