Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "efb05adc5912998c44227551d3952f3e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.724,
"b": 38.011,
"c": 55.867,
"alpha": 90.0,
"beta": 100.0,
"gamma": 90.0
},
"wavelengths": [0.99900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [15.430,1.250],
"number_observations": 185048,
"number_observations_unique": 52827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 8354,
"number_observations_unique": 2685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.738
},
{
"type": "R(meas)",
"value": 0.885
},
{
"type": "R(pim)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.594
}
]
},
{
"resolution_limits": [15.430,6.850],
"number_observations": 98,
"number_observations_unique": 85,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 23.000
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
}
]
}