Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04772d5565c7f3f7d4f2c5aff9f741a9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.622,
"b": 64.589,
"c": 74.388,
"alpha": 90.00,
"beta": 125.77,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.720,2.010],
"number_observations": 123368,
"number_observations_unique": 30183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 8680,
"number_observations_unique": 2137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.671
},
{
"type": "R(meas)",
"value": 0.771
},
{
"type": "R(pim)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [47.720,8.970],
"number_observations": 1266,
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 34.100
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}