Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "01cd94d97ab859dce7d9a12b4f34ba49",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.64,
"b": 58.08,
"c": 122.02,
"alpha": 90.00,
"beta": 95.34,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.750,1.770],
"number_observations": 355385,
"number_observations_unique": 83929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 16007,
"number_observations_unique": 3881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "R(meas)",
"value": 0.554
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 81.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [60.750,9.380],
"number_observations": 2763,
"number_observations_unique": 659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
}
]
}