Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8491badcd4cd2f76619702eedb17af8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.540,
"b": 93.610,
"c": 93.435,
"alpha": 90.00,
"beta": 108.01,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.720,1.590],
"number_observations": 428235,
"number_observations_unique": 125145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.590],
"number_observations": 31891,
"number_observations_unique": 9268,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.011
},
{
"type": "R(meas)",
"value": 1.196
},
{
"type": "R(pim)",
"value": 0.633
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.540
}
]
},
{
"resolution_limits": [54.720,7.110],
"number_observations": 5252,
"number_observations_unique": 1454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 52.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}