Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8fff4ff25fa888dbc74a48d05e50b9be",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 38.914,
"b": 50.935,
"c": 78.707,
"alpha": 90.00,
"beta": 94.36,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.730,1.880],
"number_observations": 187028,
"number_observations_unique": 25053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.880],
"number_observations": 10428,
"number_observations_unique": 1503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.931
},
{
"type": "R(meas)",
"value": 1.005
},
{
"type": "R(pim)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
},
{
"resolution_limits": [42.730,9.010],
"number_observations": 1589,
"number_observations_unique": 244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 44.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}