Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00f570fbc974c49ad16f7d4632e40ce9",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 68.23,
"b": 91.07,
"c": 98.80,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.370,2.480],
"number_observations": 144296,
"number_observations_unique": 11207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.480],
"number_observations": 11041,
"number_observations_unique": 818,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.208
},
{
"type": "R(meas)",
"value": 2.294
},
{
"type": "R(pim)",
"value": 0.619
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.628
}
]
},
{
"resolution_limits": [35.370,11.090],
"number_observations": 1123,
"number_observations_unique": 147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}