Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5fc0be9cad5efe1c6be6d39f49ddcef4",
"space_group_name": "P 1",
"unit_cell": {
"a": 35.648,
"b": 35.650,
"c": 100.919,
"alpha": 86.458,
"beta": 84.218,
"gamma": 72.475
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.35,1.80],
"number_observations_unique": 42398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [100.35,9.00],
"number_observations_unique": 336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 22.0
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.84,1.80],
"number_observations_unique": 2462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(meas)",
"value": 0.816
},
{
"type": "R(pim)",
"value": 0.577
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 94.6
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.563
}
]
}
]
}