Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "948909005e3199c82966a540fe69cb6e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.942,
"b": 27.432,
"c": 56.396,
"alpha": 90.00,
"beta": 99.95,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.560,1.150],
"number_observations": 175065,
"number_observations_unique": 33445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 75.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 147,
"number_observations_unique": 144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 6.500
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [55.560,6.200],
"number_observations": 1899,
"number_observations_unique": 323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 33.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
}
]
}