Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40773dd6545e559978bde2d6f714043d",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 67.226,
"b": 131.534,
"c": 66.215,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.89430],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.22,1.410],
"number_observations_unique": 113297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.410],
"number_observations": 21699,
"number_observations_unique": 5495,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.006
},
{
"type": "R(meas)",
"value": 1.158
},
{
"type": "R(pim)",
"value": 0.565
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.560
}
]
},
{
"resolution_limits": [47.170,7.730],
"number_observations": 2688,
"number_observations_unique": 761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 34.800
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}