Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3566002b4dd7a5ce271da4e706ae23b9",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.476,
"b": 95.476,
"c": 45.903,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.750,1.310],
"number_observations": 561139,
"number_observations_unique": 49694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.310],
"number_observations": 9839,
"number_observations_unique": 2369,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.540
},
{
"type": "R(meas)",
"value": 1.775
},
{
"type": "R(pim)",
"value": 0.861
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.266
}
]
},
{
"resolution_limits": [33.750,7.180],
"number_observations": 4045,
"number_observations_unique": 331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 59.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}