Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e067adde987583e47b6ff7d3670537b7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.928,
"b": 125.107,
"c": 134.568,
"alpha": 90.00,
"beta": 93.58,
"gamma": 90.00
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.54,1.23],
"number_observations_unique": 332491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.5
},
{
"type": "Completeness",
"value": 59.7
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.34,1.23],
"number_observations_unique": 16627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.697
},
{
"type": "R(meas)",
"value": 0.753
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 13.4
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [91.54,3.99],
"number_observations_unique": 16620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 35.6
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}