Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ef2ed077ea73445ded551b691a8b271",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.803,
"b": 56.833,
"c": 114.683,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.820,1.430],
"number_observations": 396934,
"number_observations_unique": 63364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.430],
"number_observations": 25163,
"number_observations_unique": 4629,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.373
},
{
"type": "R(meas)",
"value": 1.521
},
{
"type": "R(pim)",
"value": 0.647
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.560
}
]
},
{
"resolution_limits": [56.820,6.400],
"number_observations": 4946,
"number_observations_unique": 822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 55.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}