Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35613c87559ad21ffaaf04633d085551",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.671,
"b": 86.518,
"c": 102.751,
"alpha": 90.00,
"beta": 100.63,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.160,2.500],
"number_observations": 133568,
"number_observations_unique": 29671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.232
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 16358,
"number_observations_unique": 3412,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.197
},
{
"type": "R(meas)",
"value": 1.331
},
{
"type": "R(pim)",
"value": 0.562
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.637
}
]
},
{
"resolution_limits": [49.160,9.010],
"number_observations": 3119,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}