Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebc9158b79c31822761bb775dcb98ed4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.541,
"b": 41.544,
"c": 111.064,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.530,1.100],
"number_observations": 295069,
"number_observations_unique": 58858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.100],
"number_observations": 8100,
"number_observations_unique": 4500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "R(pim)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 47.700
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [55.530,3.470],
"number_observations": 13863,
"number_observations_unique": 2283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 69.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}