Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "99e065f7a59591b287081da6de0dc25c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 171.246,
"b": 39.910,
"c": 49.366,
"alpha": 90.00,
"beta": 103.63,
"gamma": 90.00
},
"wavelengths": [1.00002],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.970,2.020],
"number_observations_unique": 21353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 2092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "R(meas)",
"value": 0.954
},
{
"type": "R(pim)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [47.970,7.820],
"number_observations_unique": 411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}