Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e2accff457b0a0df111e82640388bc4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.552,
"b": 52.739,
"c": 44.111,
"alpha": 90.00,
"beta": 102.71,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.910,1.880],
"number_observations": 73738,
"number_observations_unique": 20626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.880],
"number_observations": 4818,
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.609
},
{
"type": "R(meas)",
"value": 1.895
},
{
"type": "R(pim)",
"value": 0.987
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.358
}
]
},
{
"resolution_limits": [54.910,9.020],
"number_observations": 792,
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}