Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8586b22420c425f25ad8db15aa66c0c3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.777,
"b": 68.692,
"c": 57.183,
"alpha": 90.00,
"beta": 92.61,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.120,1.410],
"number_observations": 228105,
"number_observations_unique": 78708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.410],
"number_observations": 21504,
"number_observations_unique": 11262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.785
},
{
"type": "R(meas)",
"value": 1.020
},
{
"type": "R(pim)",
"value": 0.644
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.447
}
]
},
{
"resolution_limits": [57.120,4.460],
"number_observations": 8907,
"number_observations_unique": 2599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 46.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}