Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "468fb6825b27a36c63dd65823f957368",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 73.972,
"b": 114.302,
"c": 106.495,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92526],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63,2.000],
"number_observations": 105978,
"number_observations_unique": 30186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 7786,
"number_observations_unique": 2228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(pim)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [40.420,8.940],
"number_observations": 1147,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}