Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f231e708ca623b793cf12b4899376e10",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.493,
"b": 64.729,
"c": 48.238,
"alpha": 90.00,
"beta": 110.88,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.070,1.3080],
"number_observations_unique": 60958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.310],
"number_observations": 23573,
"number_observations_unique": 6159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.549
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 64.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.824
}
]
},
{
"resolution_limits": [45.070,4.140],
"number_observations": 13147,
"number_observations_unique": 2151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 38.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}