Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "841ebcba06d0f792546fd5dc4f604e26",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 114.14,
"b": 114.14,
"c": 67.84,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97530],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.070,2.700],
"number_observations": 141367,
"number_observations_unique": 14309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 18053,
"number_observations_unique": 1893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.680
},
{
"type": "R(meas)",
"value": 0.719
},
{
"type": "R(pim)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [57.070,8.960],
"number_observations": 4222,
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}