Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8316d175c61b84a7923ed9038b4ee7e0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 240.790,
"b": 87.846,
"c": 161.431,
"alpha": 90.00,
"beta": 107.61,
"gamma": 90.00
},
"wavelengths": [0.97932],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.601,5.726],
"number_observations_unique": 7053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 74.7
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [6.645,5.726],
"number_observations_unique": 1008,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.814
},
{
"type": "R(meas)",
"value": 2.171
},
{
"type": "R(pim)",
"value": 1.184
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 29.8
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.319
}
]
},
{
"resolution_limits": [29.601,12.006],
"number_observations_unique": 1007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 26.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}