Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "890b93491fa4d064ff8687edd722e7be",
"space_group_name": "P 1",
"unit_cell": {
"a": 55.369,
"b": 68.453,
"c": 91.747,
"alpha": 69.50,
"beta": 78.86,
"gamma": 66.05
},
"wavelengths": [0.71080],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.710,2.300],
"number_observations": 194817,
"number_observations_unique": 50466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 18165,
"number_observations_unique": 4654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "R(meas)",
"value": 0.498
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [44.710,9.200],
"number_observations": 2645,
"number_observations_unique": 758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}