Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3700c1f7d225a7b6ead1c8053f65db91",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.065,
"b": 69.655,
"c": 57.550,
"alpha": 90.00,
"beta": 92.59,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.880,1.900],
"number_observations": 230360,
"number_observations_unique": 32863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 13523,
"number_observations_unique": 1857,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.969
},
{
"type": "R(meas)",
"value": 3.198
},
{
"type": "R(pim)",
"value": 1.179
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 83.400
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.312
}
]
},
{
"resolution_limits": [34.880,8.930],
"number_observations": 1958,
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 40.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}