Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2ae9c927c570549e75594a2559badec4",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 107.450,
"b": 107.450,
"c": 206.388,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97921],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.830,2.000],
"number_observations": 1038174,
"number_observations_unique": 48256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 76384,
"number_observations_unique": 3461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.880
},
{
"type": "R(meas)",
"value": 0.901
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 22.100
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [84.830,8.940],
"number_observations": 11293,
"number_observations_unique": 667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 62.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 16.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}