Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1322f37e2d48df6cd0bf2bb9f5ff4a5a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.475,
"b": 79.146,
"c": 89.252,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.030,1.370],
"number_observations": 552521,
"number_observations_unique": 91247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.370],
"number_observations": 28211,
"number_observations_unique": 6340,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.217
},
{
"type": "R(meas)",
"value": 1.387
},
{
"type": "R(pim)",
"value": 0.647
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.380
}
]
},
{
"resolution_limits": [49.030,6.130],
"number_observations": 7032,
"number_observations_unique": 1188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}