Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8be1c4107d09e7a6f080202eff09b08a",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 138.890,
"b": 138.890,
"c": 221.902,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.380,3.800],
"number_observations": 133629,
"number_observations_unique": 25035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "R(pim)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [4.060,3.800],
"number_observations": 24581,
"number_observations_unique": 4457,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.246
},
{
"type": "R(meas)",
"value": 1.378
},
{
"type": "R(pim)",
"value": 0.581
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [50.380,10.750],
"number_observations": 5724,
"number_observations_unique": 1205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}