Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e875da8159808fecee9df7875384ad7f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 85.746,
"b": 91.561,
"c": 126.767,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.020,2.630],
"number_observations": 389915,
"number_observations_unique": 29740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.780,2.630],
"number_observations": 49720,
"number_observations_unique": 3890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.912
},
{
"type": "R(meas)",
"value": 0.950
},
{
"type": "R(pim)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [71.020,8.330],
"number_observations": 10744,
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 65.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}