Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "2b1c93c6567ebff94dd7d3b10fd65b37",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.430,
"b": 76.913,
"c": 65.233,
"alpha": 90.000,
"beta": 93.677,
"gamma": 90.000
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.998,2.008],
"number_observations_unique": 37733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [45.96,8.98],
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.06,2.01],
"number_observations_unique": 2663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "R(meas)",
"value": 0.646
},
{
"type": "R(pim)",
"value": 0.342
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
}
]
}