Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a494c2ec3d3e912a8694963812e48c4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.812,
"b": 83.802,
"c": 65.711,
"alpha": 90.00,
"beta": 98.16,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.050,2.400],
"number_observations": 92810,
"number_observations_unique": 27005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 9728,
"number_observations_unique": 2704,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.208
},
{
"type": "R(meas)",
"value": 1.419
},
{
"type": "R(pim)",
"value": 0.739
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.468
}
]
},
{
"resolution_limits": [65.050,8.970],
"number_observations": 1846,
"number_observations_unique": 551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 45.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}