Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84d37c2249fad8c50dd08d7555af41d1",
"space_group_name": "P 62 2 2",
"unit_cell": {
"a": 31.90,
"b": 31.90,
"c": 81.88,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000,3.09960,0.92007],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.630,2.900],
"number_observations": 21199,
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 79.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 30.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.250,2.900],
"number_observations_unique": 183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 33.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [27.630,6.490],
"number_observations_unique": 86,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 20.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}