Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "49ef2e139309c984ae63a6bad32ab837",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.616,
"b": 112.690,
"c": 62.647,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.890,1.400],
"number_observations_unique": 57826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 32254,
"number_observations_unique": 2843,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.390
},
{
"type": "R(meas)",
"value": 1.456
},
{
"type": "R(pim)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [41.890,7.670],
"number_observations": 4689,
"number_observations_unique": 412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}