Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "87df391592eb7d21917a62004fc85e48",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.445,
"b": 83.290,
"c": 59.034,
"alpha": 90.00,
"beta": 108.57,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.000,1.340],
"number_observations": 427228,
"number_observations_unique": 81674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 71.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 220,
"number_observations_unique": 219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 3.800
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [56.000,7.220],
"number_observations": 4961,
"number_observations_unique": 771,
"quality_factors": [
{
"type": "I/SigI",
"value": 91.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
}
]
}
]
}