Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98be8f57ac86552400cface80caa2c8c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 102.849,
"b": 102.849,
"c": 109.456,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [102.850,3.050],
"number_observations": 160717,
"number_observations_unique": 11678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.260,3.050],
"number_observations": 29500,
"number_observations_unique": 2054,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.015
},
{
"type": "R(meas)",
"value": 1.052
},
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [102.850,8.630],
"number_observations": 6768,
"number_observations_unique": 599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 61.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}