Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22023f1c0eaf4ec5d1dbb945287112bf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.811,
"b": 27.139,
"c": 56.307,
"alpha": 90.00,
"beta": 100.04,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.450,1.350],
"number_observations": 155536,
"number_observations_unique": 26228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 24.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.350],
"number_observations": 3682,
"number_observations_unique": 1035,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.909
},
{
"type": "R(meas)",
"value": 3.409
},
{
"type": "R(pim)",
"value": 1.723
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 77.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.054
}
]
},
{
"resolution_limits": [55.450,7.300],
"number_observations": 1056,
"number_observations_unique": 200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 49.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
}
]
}