Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9a636faeb66efab04abe15a1ab851fd7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.499,
"b": 107.483,
"c": 83.399,
"alpha": 90.00,
"beta": 96.64,
"gamma": 90.00
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.840,2.118],
"number_observations_unique": 59407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.120],
"number_observations": 7200,
"number_observations_unique": 3923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [19.840,9.230],
"number_observations": 2436,
"number_observations_unique": 680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}