Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56e3f113c951eca859a36c9cd2c84b6a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.910,
"b": 118.736,
"c": 93.705,
"alpha": 90.00,
"beta": 91.45,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.830,2.200],
"number_observations": 136941,
"number_observations_unique": 48253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 6971,
"number_observations_unique": 3335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(pim)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 77.700
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.671
}
]
},
{
"resolution_limits": [35.830,9.070],
"number_observations": 1961,
"number_observations_unique": 688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 36.900
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}