Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "feb7b4c76bd5670b28e81ef806083e7f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.954,
"b": 53.080,
"c": 44.546,
"alpha": 90.00,
"beta": 103.02,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.510,1.300],
"number_observations": 627154,
"number_observations_unique": 62149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 25324,
"number_observations_unique": 2913,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.011
},
{
"type": "R(meas)",
"value": 6.402
},
{
"type": "R(pim)",
"value": 2.163
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.310
}
]
},
{
"resolution_limits": [55.510,6.990],
"number_observations": 4287,
"number_observations_unique": 436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}