Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c163b37be296317bc491ce3c885e212a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.881,
"b": 63.852,
"c": 74.623,
"alpha": 90.00,
"beta": 125.77,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.480,2.120],
"number_observations": 101103,
"number_observations_unique": 24742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.190,2.120],
"number_observations": 5199,
"number_observations_unique": 1394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.768
},
{
"type": "R(meas)",
"value": 0.886
},
{
"type": "R(pim)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 67.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [48.480,9.010],
"number_observations": 1342,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 37.400
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}