Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2dcb21a72952b80219d4ba2d04f5c4c3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.66,
"b": 52.18,
"c": 101.76,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.180,2.110],
"number_observations": 101952,
"number_observations_unique": 15832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.110],
"number_observations": 7437,
"number_observations_unique": 1162,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.385
},
{
"type": "R(meas)",
"value": 1.508
},
{
"type": "R(pim)",
"value": 0.590
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.515
}
]
},
{
"resolution_limits": [52.180,9.440],
"number_observations": 1234,
"number_observations_unique": 225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 43.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}