Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f526c25f869474f7587d0825695eacdc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.530,
"b": 67.565,
"c": 40.102,
"alpha": 90.00,
"beta": 91.66,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.570,1.010],
"number_observations": 344796,
"number_observations_unique": 104663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,1.010],
"number_observations": 27977,
"number_observations_unique": 9151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.735
}
]
},
{
"resolution_limits": [67.570,4.040],
"number_observations": 5589,
"number_observations_unique": 1687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 40.400
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}