Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d00003af7a8c02a350fdaaae666f917",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.019,
"b": 52.747,
"c": 44.650,
"alpha": 90.00,
"beta": 102.96,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.570,1.340],
"number_observations": 154708,
"number_observations_unique": 53449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 2244,
"number_observations_unique": 1558,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.124
},
{
"type": "R(meas)",
"value": 1.518
},
{
"type": "R(pim)",
"value": 1.009
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 55.400
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.333
}
]
},
{
"resolution_limits": [54.570,7.340],
"number_observations": 1325,
"number_observations_unique": 379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 38.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}