Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70380862ce08ef46593454d00c265247",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.639,
"b": 90.828,
"c": 96.170,
"alpha": 90.000,
"beta": 92.832,
"gamma": 90.000
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48,2.05],
"number_observations_unique": 54973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [48,8.94],
"number_observations_unique": 651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.11,2.05],
"number_observations_unique": 4272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.908
},
{
"type": "R(meas)",
"value": 1.269
},
{
"type": "R(pim)",
"value": 0.885
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.336
}
]
}
]
}