Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23871700d4412087081365649d597978",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 107.130,
"b": 129.026,
"c": 108.296,
"alpha": 90.000,
"beta": 90.177,
"gamma": 90.000
},
"wavelengths": [0.97626],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [107.130,2.750],
"number_observations_unique": 73785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.797,2.750],
"number_observations_unique": 3796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [107.130,7.462],
"number_observations_unique": 3902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.4
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}