Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1950fc7b87572f6e0aad3f318ef1ced8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 61.19,
"b": 94.01,
"c": 75.28,
"alpha": 90.00,
"beta": 92.61,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.010,2.540],
"number_observations_unique": 27561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.610,2.540],
"number_observations_unique": 1933,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.953
},
{
"type": "R(meas)",
"value": 2.137
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [47.010,11.360],
"number_observations_unique": 335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 28.9
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}