Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c393a93890f0cd2d5fcff2b370b8fa9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 51.53,
"b": 114.02,
"c": 180.54,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.960,2.000],
"number_observations": 121780,
"number_observations_unique": 35627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 8357,
"number_observations_unique": 2529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "R(meas)",
"value": 0.650
},
{
"type": "R(pim)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [46.960,8.940],
"number_observations": 1028,
"number_observations_unique": 434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}