Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54b3218c367bf3b98b914f060faa56dd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 179.085,
"b": 101.584,
"c": 108.500,
"alpha": 90.00,
"beta": 124.53,
"gamma": 90.00
},
"wavelengths": [0.91730],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.050,2.200],
"number_observations": 335994,
"number_observations_unique": 80788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations": 17051,
"number_observations_unique": 4372,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.065
},
{
"type": "R(meas)",
"value": 1.227
},
{
"type": "R(pim)",
"value": 0.601
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.479
}
]
},
{
"resolution_limits": [46.050,11.220],
"number_observations": 2120,
"number_observations_unique": 613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}