Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d71f96d613bf76b9c21597f4faa618aa",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.392,
"b": 83.351,
"c": 58.899,
"alpha": 90.00,
"beta": 108.42,
"gamma": 90.00
},
"wavelengths": [0.92201],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.410,1.460],
"number_observations": 422509,
"number_observations_unique": 78816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.460],
"number_observations": 3560,
"number_observations_unique": 1874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.972
},
{
"type": "R(meas)",
"value": 1.338
},
{
"type": "R(pim)",
"value": 0.912
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 43.600
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.356
}
]
},
{
"resolution_limits": [46.410,8.000],
"number_observations": 3605,
"number_observations_unique": 569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 77.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}