Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ad07b507c1ba1feb0d72ab6153e42345",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.554,
"b": 83.670,
"c": 58.968,
"alpha": 90.00,
"beta": 108.37,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.510,1.470],
"number_observations": 423574,
"number_observations_unique": 79100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.470],
"number_observations": 3939,
"number_observations_unique": 2020,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.284
},
{
"type": "R(meas)",
"value": 1.765
},
{
"type": "R(pim)",
"value": 1.202
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 47.500
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.286
}
]
},
{
"resolution_limits": [46.510,8.050],
"number_observations": 3485,
"number_observations_unique": 561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 71.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
}
]
}