Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b2632f3312ceba0ced4660860102c24",
"space_group_name": "P 2 2 21",
"unit_cell": {
"a": 58.514,
"b": 104.739,
"c": 211.821,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.260,2.000],
"number_observations": 409653,
"number_observations_unique": 88263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,2.000],
"number_observations": 21119,
"number_observations_unique": 4462,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.084
},
{
"type": "R(meas)",
"value": 1.225
},
{
"type": "R(pim)",
"value": 0.556
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.474
}
]
},
{
"resolution_limits": [39.260,10.770],
"number_observations": 2790,
"number_observations_unique": 651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 47.700
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}