Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9513fe2a567ad5e0f2ae5ad83ccf183c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.58,
"b": 99.64,
"c": 138.93,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97935],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.190,2.760],
"number_observations": 168759,
"number_observations_unique": 19839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.309
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [2.910,2.760],
"number_observations": 23082,
"number_observations_unique": 2810,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.419
},
{
"type": "R(meas)",
"value": 1.523
},
{
"type": "R(pim)",
"value": 0.542
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.517
}
]
},
{
"resolution_limits": [47.190,8.730],
"number_observations": 5691,
"number_observations_unique": 720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 24.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}