Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bded7074d613d91602ab2b4788f5ce93",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 27.546,
"b": 31.017,
"c": 4.804,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.000,1.800],
"number_observations_unique": 443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.800],
"number_observations_unique": 63,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "Completeness",
"value": 67.000
},
{
"type": "Redundancy",
"value": 1.700
}
]
},
{
"resolution_limits": [2.130,1.940],
"number_observations_unique": 83,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.440,2.130],
"number_observations_unique": 89,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 78.800
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.080,2.440],
"number_observations_unique": 87,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [90.000,3.080],
"number_observations_unique": 121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 5.100
}
]
}
]
}