Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5cc9af9e8e13f82f04ee62deeaca94c5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.79,
"b": 108.93,
"c": 109.99,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.790,2.350],
"number_observations": 279970,
"number_observations_unique": 32179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.350],
"number_observations": 25078,
"number_observations_unique": 3110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "R(meas)",
"value": 0.543
},
{
"type": "R(pim)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [62.790,9.100],
"number_observations": 4845,
"number_observations_unique": 640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}