Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f2a5c6880220d56f4c21a63dc1d59559",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.875,
"b": 52.763,
"c": 44.524,
"alpha": 90.00,
"beta": 103.01,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.980,1.580],
"number_observations": 117432,
"number_observations_unique": 34928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 4509,
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.241
},
{
"type": "R(meas)",
"value": 1.546
},
{
"type": "R(pim)",
"value": 0.906
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.341
}
]
},
{
"resolution_limits": [54.980,8.650],
"number_observations": 877,
"number_observations_unique": 234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 28.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}