Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "753135b55fee03e4f4291c9109109143",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.97,
"b": 84.18,
"c": 81.40,
"alpha": 90.00,
"beta": 98.76,
"gamma": 90.00
},
"wavelengths": [0.97917],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.090,1.780],
"number_observations": 389264,
"number_observations_unique": 59043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.780],
"number_observations": 29853,
"number_observations_unique": 4319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.761
},
{
"type": "R(meas)",
"value": 0.823
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [42.090,7.960],
"number_observations": 4207,
"number_observations_unique": 689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}