Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb346bbb3ee99f975247a99a0eaf1a25",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.408,
"b": 71.408,
"c": 149.721,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.370,1.440],
"number_observations": 861492,
"number_observations_unique": 70022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 24.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.440],
"number_observations": 24779,
"number_observations_unique": 3055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.915
},
{
"type": "R(meas)",
"value": 0.977
},
{
"type": "R(pim)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [29.370,7.910],
"number_observations": 5596,
"number_observations_unique": 520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 77.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}