Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2cd1108b7f2cb7930166828d35d72dc1",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 61.189,
"b": 42.765,
"c": 108.226,
"alpha": 90.0,
"beta": 105.9,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.56,2.00],
"number_observations_unique": 18465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.05,2.00],
"number_observations_unique": 1364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "R(meas)",
"value": 0.743
},
{
"type": "R(pim)",
"value": 0.313
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [39.56,8.94],
"number_observations_unique": 231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 34.2
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}