Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e4ffc8b5f0c05777487962da27feb99",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.88,
"b": 65.86,
"c": 55.06,
"alpha": 90.00,
"beta": 99.58,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.250,1.970],
"number_observations": 61075,
"number_observations_unique": 22077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations_unique": 1638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.786
},
{
"type": "R(meas)",
"value": 0.978
},
{
"type": "R(pim)",
"value": 0.573
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.379
}
]
},
{
"resolution_limits": [44.250,8.810],
"number_observations_unique": 251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}