Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "50b91376513987b287d3fa2a9be2181a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.69,
"b": 27.14,
"c": 55.90,
"alpha": 90.00,
"beta": 100.12,
"gamma": 90.00
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.580,1.200],
"number_observations": 81274,
"number_observations_unique": 29693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 78.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.230,1.200],
"number_observations": 887,
"number_observations_unique": 657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "R(meas)",
"value": 0.626
},
{
"type": "R(pim)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 23.700
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [35.580,5.370],
"number_observations": 1320,
"number_observations_unique": 448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 45.000
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}