Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd8622a52a8881ea3e8e4030458a5065",
"space_group_name": "P 1",
"unit_cell": {
"a": 31.886,
"b": 40.822,
"c": 46.268,
"alpha": 70.14,
"beta": 84.61,
"gamma": 83.86
},
"wavelengths": [0.97923],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations_unique": 27869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 1359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 1356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 1415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 1349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 1394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 1387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 1386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 1381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 1380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 1402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 1383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 1421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.270,2.170],
"number_observations_unique": 1418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.390,2.270],
"number_observations_unique": 1392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.540,2.390],
"number_observations_unique": 1401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations_unique": 1427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.010,2.740],
"number_observations_unique": 1394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.450,3.010],
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [4.340,3.450],
"number_observations_unique": 1414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [50.000,4.340],
"number_observations_unique": 1388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 5.400
}
]
}
]
}