Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8e1512d8d4b1edf5db33b96cfd7a684a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.860,
"b": 93.620,
"c": 93.661,
"alpha": 90.00,
"beta": 108.06,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.430,1.630],
"number_observations": 396605,
"number_observations_unique": 116492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 29697,
"number_observations_unique": 8695,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.220
},
{
"type": "R(meas)",
"value": 1.450
},
{
"type": "R(pim)",
"value": 0.774
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.497
}
]
},
{
"resolution_limits": [47.430,7.290],
"number_observations": 4973,
"number_observations_unique": 1361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 62.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}