Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9e5af070156db50d595bec94c5778b8a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.516,
"b": 83.893,
"c": 58.924,
"alpha": 90.0,
"beta": 108.2,
"gamma": 90.0
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.970,1.710],
"number_observations": 354468,
"number_observations_unique": 55178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 12820,
"number_observations_unique": 2820,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.857
},
{
"type": "R(meas)",
"value": 2.113
},
{
"type": "R(pim)",
"value": 0.985
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.302
}
]
},
{
"resolution_limits": [55.970,9.060],
"number_observations": 2422,
"number_observations_unique": 403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 59.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}