Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "31e91fd4f79d5cfd8763218a6bc743da",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.319,
"b": 83.114,
"c": 58.670,
"alpha": 90.00,
"beta": 108.55,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.630,1.810],
"number_observations": 307713,
"number_observations_unique": 45915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.810],
"number_observations": 14407,
"number_observations_unique": 2733,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.187
},
{
"type": "R(meas)",
"value": 2.432
},
{
"type": "R(pim)",
"value": 1.051
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.374
}
]
},
{
"resolution_limits": [55.630,9.050],
"number_observations": 2363,
"number_observations_unique": 393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}