Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d6334b23ca72d18536fe5e6a77ba0833",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 93.211,
"b": 97.499,
"c": 107.174,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.370,2.260],
"number_observations": 99510,
"number_observations_unique": 22010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.260],
"number_observations": 7456,
"number_observations_unique": 1783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.409
},
{
"type": "R(pim)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.327
}
]
},
{
"resolution_limits": [67.370,9.020],
"number_observations": 1581,
"number_observations_unique": 371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}