Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5e1a5757fd9bd0a0510cc2e31eb11a6",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 72.152,
"b": 80.406,
"c": 312.242,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000,1.65000,1.72000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.20],
"number_observations_unique": 43897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.24,2.20],
"number_observations_unique": 2033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.280,2.24],
"number_observations_unique": 2133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.32,2.28],
"number_observations_unique": 2130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.37,2.32],
"number_observations_unique": 2157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.42,2.37],
"number_observations_unique": 2151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.48,2.42],
"number_observations_unique": 2145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.54,2.48],
"number_observations_unique": 2193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.61,2.54],
"number_observations_unique": 2151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.69,2.61],
"number_observations_unique": 2157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.77,2.69],
"number_observations_unique": 2176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.87,2.77],
"number_observations_unique": 2151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.99,2.87],
"number_observations_unique": 2191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [3.12,2.99],
"number_observations_unique": 2193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [3.29,3.12],
"number_observations_unique": 2197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [3.49,3.29],
"number_observations_unique": 2154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [3.76,3.49],
"number_observations_unique": 2228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [4.14,3.76],
"number_observations_unique": 2186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [4.74,4.14],
"number_observations_unique": 2229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [5.97,4.74],
"number_observations_unique": 2253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [50.000,5.97],
"number_observations_unique": 2354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
}
]
}