Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "936a665467542a23b890499c4d6caa4b",
"space_group_name": "P 1",
"unit_cell": {
"a": 65.326,
"b": 81.796,
"c": 102.964,
"alpha": 92.44,
"beta": 90.95,
"gamma": 113.37
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [102.800,2.480],
"number_observations": 150043,
"number_observations_unique": 64470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.480],
"number_observations": 10852,
"number_observations_unique": 4447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "R(pim)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [102.800,11.370],
"number_observations": 1704,
"number_observations_unique": 676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}