Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ccf02bb854a1055336c14c13095e2fce",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.70,
"b": 45.38,
"c": 83.33,
"alpha": 90.00,
"beta": 102.24,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.720,1.590],
"number_observations": 213557,
"number_observations_unique": 61414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.590],
"number_observations": 16410,
"number_observations_unique": 4578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.572
},
{
"type": "R(meas)",
"value": 0.673
},
{
"type": "R(pim)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.757
}
]
},
{
"resolution_limits": [40.720,7.110],
"number_observations": 2576,
"number_observations_unique": 751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 47.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}