Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a727bd48bf327d3bf080749dd4237b5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.208,
"b": 51.309,
"c": 79.344,
"alpha": 90.00,
"beta": 92.07,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.080,1.540],
"number_observations_unique": 48030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.540],
"number_observations_unique": 1097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.830
},
{
"type": "R(meas)",
"value": 0.896
},
{
"type": "R(pim)",
"value": 0.334
},
{
"type": "Completeness",
"value": 45.100
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
},
{
"resolution_limits": [43.080,8.410],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}