Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c672d2afd153f61172377b47ce0e912",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 44.405,
"b": 103.396,
"c": 111.381,
"alpha": 90.00,
"beta": 90.32,
"gamma": 90.00
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.330,1.960],
"number_observations": 126043,
"number_observations_unique": 36098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.960],
"number_observations": 8393,
"number_observations_unique": 2448,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.191
},
{
"type": "R(meas)",
"value": 1.407
},
{
"type": "R(pim)",
"value": 0.742
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.508
}
]
},
{
"resolution_limits": [41.330,8.970],
"number_observations": 1293,
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 51.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}