Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c8e747f681d1d79aaaefc055d4457ff",
"space_group_name": "P 31 1 2",
"unit_cell": {
"a": 52.01,
"b": 52.01,
"c": 229.51,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.160,2.160],
"number_observations": 215614,
"number_observations_unique": 19481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.160],
"number_observations": 15746,
"number_observations_unique": 1374,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.647
},
{
"type": "R(meas)",
"value": 1.723
},
{
"type": "R(pim)",
"value": 0.502
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.589
}
]
},
{
"resolution_limits": [29.160,9.660],
"number_observations": 2453,
"number_observations_unique": 260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}