Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f711c5f6c0f77e0952da6861195ee0d1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.113,
"b": 49.595,
"c": 116.129,
"alpha": 90.00,
"beta": 94.51,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.410,2.220],
"number_observations": 313103,
"number_observations_unique": 45432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.220],
"number_observations": 26486,
"number_observations_unique": 4115,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.674
},
{
"type": "R(meas)",
"value": 2.914
},
{
"type": "R(pim)",
"value": 1.144
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.296
}
]
},
{
"resolution_limits": [63.410,8.880],
"number_observations": 5210,
"number_observations_unique": 780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 58.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}