Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb435e929e1ceb0b6d39f8ba5aecdf9a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.427,
"b": 41.304,
"c": 72.028,
"alpha": 90.00,
"beta": 104.23,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.550,1.355],
"number_observations_unique": 49544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.360],
"number_observations": 2451,
"number_observations_unique": 1345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.787
},
{
"type": "R(meas)",
"value": 1.023
},
{
"type": "R(pim)",
"value": 0.643
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 51.200
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.328
}
]
},
{
"resolution_limits": [35.550,7.420],
"number_observations": 1229,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}