Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "837efda9e3b6e1d084693441c237929b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.256,
"b": 47.270,
"c": 46.545,
"alpha": 90.00,
"beta": 103.39,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.270,1.550],
"number_observations": 49926,
"number_observations_unique": 15957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 1485,
"number_observations_unique": 683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.705
},
{
"type": "R(pim)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [47.270,8.490],
"number_observations": 364,
"number_observations_unique": 112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 33.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}