Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4014ff5deb738863e4d084f3a6ffd8a0",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 101.090,
"b": 53.850,
"c": 177.418,
"alpha": 90.00,
"beta": 93.93,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.500,3.100],
"number_observations": 131166,
"number_observations_unique": 17628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.100],
"number_observations": 23767,
"number_observations_unique": 3161,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.232
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [88.500,8.770],
"number_observations": 5282,
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}