Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5123506ee203e659621e19d3054e2b7c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.099,
"b": 45.387,
"c": 63.216,
"alpha": 90.00,
"beta": 111.51,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.810,1.420],
"number_observations": 1384264,
"number_observations_unique": 58358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.420],
"number_observations": 159765,
"number_observations_unique": 8404,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.787
},
{
"type": "R(meas)",
"value": 2.864
},
{
"type": "R(pim)",
"value": 0.650
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.490
}
]
},
{
"resolution_limits": [58.810,4.480],
"number_observations": 42658,
"number_observations_unique": 1948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}