Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b4dc6fc7dc28594c00719db13d8b852",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 99.161,
"b": 99.161,
"c": 117.667,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [99.160,2.850],
"number_observations": 57927,
"number_observations_unique": 12833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations_unique": 1874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.853
},
{
"type": "R(meas)",
"value": 0.961
},
{
"type": "R(pim)",
"value": 0.431
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.649
}
]
},
{
"resolution_limits": [99.16,9.01],
"number_observations_unique": 444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}