Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e0a0fd1fa983dc8299b8898b0ee36d4",
"space_group_name": "P 1",
"unit_cell": {
"a": 58.846,
"b": 70.009,
"c": 84.938,
"alpha": 102.88,
"beta": 95.84,
"gamma": 112.37
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.880,2.250],
"number_observations": 184183,
"number_observations_unique": 54682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations": 14246,
"number_observations_unique": 4343,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.295
},
{
"type": "R(meas)",
"value": 1.577
},
{
"type": "R(pim)",
"value": 0.881
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.414
}
]
},
{
"resolution_limits": [80.880,9.570],
"number_observations": 2753,
"number_observations_unique": 727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}