Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8cd33ccb7ae305d2e81fe8634e3fd19",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.51,
"b": 78.43,
"c": 57.19,
"alpha": 90.00,
"beta": 113.22,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.560,1.900],
"number_observations": 112661,
"number_observations_unique": 32605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 6250,
"number_observations_unique": 2028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "R(meas)",
"value": 0.459
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.581
}
]
},
{
"resolution_limits": [52.560,9.110],
"number_observations": 944,
"number_observations_unique": 299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.000
},
{
"type": "Completeness",
"value": 86.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}