Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4856aa1feea90fbdb428787d251b6f24",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 53.91,
"b": 95.66,
"c": 233.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.970,2.050],
"number_observations": 278374,
"number_observations_unique": 38440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations_unique": 2949,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.576
},
{
"type": "R(meas)",
"value": 2.769
},
{
"type": "R(pim)",
"value": 1.003
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.272
}
]
},
{
"resolution_limits": [46.970,8.940],
"number_observations_unique": 538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}