Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53ded3ea0ac346d71f2d8071a6cdc352",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.418,
"b": 90.655,
"c": 98.849,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.700,1.800],
"number_observations": 157949,
"number_observations_unique": 23106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 81.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 9866,
"number_observations_unique": 2620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "R(meas)",
"value": 0.430
},
{
"type": "R(pim)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 64.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [55.700,5.700],
"number_observations": 6594,
"number_observations_unique": 907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 41.800
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}