Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17c01882de40de29fc681f36f5b2dbb7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.661,
"b": 76.817,
"c": 107.344,
"alpha": 90.00,
"beta": 90.53,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.110,1.950],
"number_observations": 227101,
"number_observations_unique": 66934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 15566,
"number_observations_unique": 4466,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.365
},
{
"type": "R(meas)",
"value": 1.615
},
{
"type": "R(pim)",
"value": 0.857
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.519
}
]
},
{
"resolution_limits": [46.110,9.150],
"number_observations": 2225,
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 24.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}