Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fa8abbe977c4e9caf32f6782e92dc51d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 103.181,
"b": 71.522,
"c": 103.543,
"alpha": 90.00,
"beta": 120.03,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.000],
"number_observations": 89754,
"number_observations_unique": 25461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [3.050,3.000],
"number_observations_unique": 1120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.110,3.050],
"number_observations_unique": 1214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.170,3.110],
"number_observations_unique": 1172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.409
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.230,3.170],
"number_observations_unique": 1282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [3.300,3.230],
"number_observations_unique": 1287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.380,3.300],
"number_observations_unique": 1277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.460,3.380],
"number_observations_unique": 1263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.560,3.460],
"number_observations_unique": 1324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.660,3.560],
"number_observations_unique": 1265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.780,3.660],
"number_observations_unique": 1281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.910,3.780],
"number_observations_unique": 1268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.070,3.910],
"number_observations_unique": 1279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.260,4.070],
"number_observations_unique": 1297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.480,4.260],
"number_observations_unique": 1285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.760,4.480],
"number_observations_unique": 1291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [5.130,4.760],
"number_observations_unique": 1295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [5.640,5.130],
"number_observations_unique": 1297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [6.460,5.640],
"number_observations_unique": 1304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [8.130,6.460],
"number_observations_unique": 1293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [50.000,8.130],
"number_observations_unique": 1367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
}
]
}