Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53f431cbe8715e9061ee90cbcb6ec80a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.750,
"b": 93.690,
"c": 93.568,
"alpha": 90.00,
"beta": 107.93,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.020,1.770],
"number_observations": 314849,
"number_observations_unique": 91501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.770],
"number_observations": 23202,
"number_observations_unique": 6720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.904
},
{
"type": "R(meas)",
"value": 1.072
},
{
"type": "R(pim)",
"value": 0.570
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.557
}
]
},
{
"resolution_limits": [89.020,7.920],
"number_observations": 3838,
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 57.900
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}