Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "569f16ada2fe2d77ac9203f3cf898f61",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 36.834,
"b": 36.834,
"c": 140.874,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546,2.75520],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.64,1.12],
"number_observations_unique": 37308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 21.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.144,1.125],
"number_observations_unique": 1866,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.048
},
{
"type": "R(meas)",
"value": 3.138
},
{
"type": "R(pim)",
"value": 0.730
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 74.0
},
{
"type": "Redundancy",
"value": 18.0
},
{
"type": "CC(1/2)",
"value": 0.538
}
]
},
{
"resolution_limits": [1.80,1.77],
"number_observations_unique": 361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
}
]
}