Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6106356b91cd111a3fa236a322bd19ce",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 200.648,
"b": 115.844,
"c": 128.581,
"alpha": 90.00,
"beta": 121.34,
"gamma": 90.00
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.590,3.100],
"number_observations": 319843,
"number_observations_unique": 45490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.210,3.100],
"number_observations": 32464,
"number_observations_unique": 4479,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.082
},
{
"type": "R(meas)",
"value": 1.165
},
{
"type": "R(pim)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [49.590,12.010],
"number_observations": 5665,
"number_observations_unique": 819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 52.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}