Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd72399fea96797e5383eb51385ca483",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.828,
"b": 95.828,
"c": 45.545,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.210,1.210],
"number_observations": 586709,
"number_observations_unique": 55750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.230,1.210],
"number_observations": 3221,
"number_observations_unique": 1405,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.142
},
{
"type": "R(meas)",
"value": 1.431
},
{
"type": "R(pim)",
"value": 0.843
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 43.600
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.309
}
]
},
{
"resolution_limits": [31.210,6.520],
"number_observations": 5436,
"number_observations_unique": 431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 72.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}