Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c9df9e714b68affae527f01869790ce",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 61.556,
"b": 84.870,
"c": 59.542,
"alpha": 90.00,
"beta": 98.86,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.450,1.450],
"number_observations_unique": 53141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 15095,
"number_observations_unique": 2598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.624
},
{
"type": "R(meas)",
"value": 0.683
},
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [40.420,7.940],
"number_observations": 2021,
"number_observations_unique": 347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 41.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}