Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3743d38ec906fecaa1a272b6a97899d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.151,
"b": 26.921,
"c": 55.384,
"alpha": 90.00,
"beta": 100.08,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.520,1.180],
"number_observations": 91247,
"number_observations_unique": 34737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.180],
"number_observations": 914,
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.049
},
{
"type": "R(meas)",
"value": 1.483
},
{
"type": "R(pim)",
"value": 1.049
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 40.200
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
},
{
"resolution_limits": [54.520,6.460],
"number_observations": 796,
"number_observations_unique": 278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
}
]
}