Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70b92bc7313dfd23d9194d400120c142",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.08,
"b": 74.07,
"c": 101.27,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.800,1.970],
"number_observations": 289108,
"number_observations_unique": 22498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 19313,
"number_observations_unique": 1602,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.581
},
{
"type": "R(meas)",
"value": 2.693
},
{
"type": "R(pim)",
"value": 0.759
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.419
}
]
},
{
"resolution_limits": [41.800,8.810],
"number_observations": 3371,
"number_observations_unique": 315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}