Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "26d7a29b694d2732572e5e7c9bea271b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.390,
"b": 85.348,
"c": 93.165,
"alpha": 90.00,
"beta": 105.46,
"gamma": 90.00
},
"wavelengths": [1.10200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.67,2.76],
"number_observations_unique": 20968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.760],
"number_observations": 21188,
"number_observations_unique": 3051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.704
},
{
"type": "R(meas)",
"value": 0.761
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [42.670,8.710],
"number_observations": 4665,
"number_observations_unique": 722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 33.400
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}