Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a18d3b9b4149af56710b938deb8ea034",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 86.744,
"b": 90.847,
"c": 99.349,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.700],
"number_observations": 160904,
"number_observations_unique": 21656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.700],
"number_observations_unique": 2006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.515
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.910,2.800],
"number_observations_unique": 2116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.441
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [3.040,2.910],
"number_observations_unique": 2122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [3.200,3.040],
"number_observations_unique": 2177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.400,3.200],
"number_observations_unique": 2155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [3.660,3.400],
"number_observations_unique": 2174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [4.030,3.660],
"number_observations_unique": 2173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [4.620,4.030],
"number_observations_unique": 2208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [5.810,4.620],
"number_observations_unique": 2239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [50.000,5.810],
"number_observations_unique": 2286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
}
]
}