Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fee02f98876b8627cc4849db87d19614",
"space_group_name": "P 1",
"unit_cell": {
"a": 55.8,
"b": 72.0,
"c": 76.5,
"alpha": 70.14,
"beta": 79.12,
"gamma": 80.42
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.300,2.470],
"number_observations": 72984,
"number_observations_unique": 34543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.530,2.470],
"number_observations": 5536,
"number_observations_unique": 2606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.839
},
{
"type": "R(meas)",
"value": 1.135
},
{
"type": "R(pim)",
"value": 0.760
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.515
}
]
},
{
"resolution_limits": [67.300,11.050],
"number_observations": 809,
"number_observations_unique": 380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}