Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ccc4015f0a1e163ad535086a99610c5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.430,
"b": 110.381,
"c": 163.580,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.720,2.080],
"number_observations_unique": 105537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.080],
"number_observations": 23883,
"number_observations_unique": 4248,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.936
},
{
"type": "R(meas)",
"value": 3.231
},
{
"type": "R(pim)",
"value": 1.332
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.432
}
]
},
{
"resolution_limits": [65.720,9.070],
"number_observations": 3914,
"number_observations_unique": 777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 28.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}