Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2784c764be7db19e80b55d683c34e014",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 99.54,
"b": 275.78,
"c": 116.61,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.440,2.350],
"number_observations_unique": 67110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.410,2.350],
"number_observations_unique": 4896,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.807
},
{
"type": "R(meas)",
"value": 1.890
},
{
"type": "R(pim)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [58.440,10.510],
"number_observations_unique": 843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}