Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c077d4b64ca23541adfc0aef1b596f74",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.367,
"b": 96.507,
"c": 57.887,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.960,1.770],
"number_observations": 147412,
"number_observations_unique": 22547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 6381,
"number_observations_unique": 1130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.774
},
{
"type": "R(meas)",
"value": 0.848
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [29.960,9.030],
"number_observations": 1252,
"number_observations_unique": 204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 58.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}