Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc81249de132b2b9ec5762d6c92dcf2c",
"space_group_name": "P 1",
"unit_cell": {
"a": 25.878,
"b": 32.326,
"c": 49.915,
"alpha": 72.38,
"beta": 78.06,
"gamma": 72.39
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.740,1.400],
"number_observations_unique": 54418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 5108,
"number_observations_unique": 1328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [28.740,7.670],
"number_observations": 611,
"number_observations_unique": 170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
}
]
}