Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3eda464fac1b2646811aed8a53a7a6f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.56,
"b": 57.61,
"c": 66.76,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.760,1.930],
"number_observations": 62798,
"number_observations_unique": 13269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 2817,
"number_observations_unique": 1177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.897
},
{
"type": "R(meas)",
"value": 1.303
},
{
"type": "R(pim)",
"value": 0.656
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.525
}
]
},
{
"resolution_limits": [66.760,9.060],
"number_observations": 697,
"number_observations_unique": 158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}