Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c7a694cacce0bd15cd962d8f1f8fd45",
"space_group_name": "I 21 21 21",
"unit_cell": {
"a": 125.30,
"b": 122.17,
"c": 159.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49,2.600],
"number_observations": 281551,
"number_observations_unique": 38008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 13.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
"refln_shells": [
{
"resolution_limits": [2.700,2.600],
"number_observations": 30000,
"number_observations_unique": 4034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 0.713
},
{
"type": "I/SigI",
"value": 3.590
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [7.000,2.700],
"number_observations": 237340,
"number_observations_unique": 31899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 13.850
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [49,7.000],
"number_observations": 14211,
"number_observations_unique": 2075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 32.120
},
{
"type": "Completeness",
"value": 99.500
}
]
}
]
}