Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a7b56cd14119570c8f4a4d80d3a6974c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.95,
"b": 27.06,
"c": 55.73,
"alpha": 90.00,
"beta": 99.84,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.560,1.270],
"number_observations": 79836,
"number_observations_unique": 30050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.270],
"number_observations": 1801,
"number_observations_unique": 1338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.682
},
{
"type": "R(pim)",
"value": 0.466
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 57.200
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.687
}
]
},
{
"resolution_limits": [35.560,5.680],
"number_observations": 1156,
"number_observations_unique": 391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}