Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "336e6d8fb0462277c27e84208e6ac162",
"space_group_name": "P 61",
"unit_cell": {
"a": 48.053,
"b": 48.053,
"c": 112.435,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.700],
"number_observations_unique": 16192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 28.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [1.760,1.730],
"number_observations_unique": 789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations_unique": 802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [1.910,1.870],
"number_observations_unique": 810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [1.960,1.910],
"number_observations_unique": 792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations_unique": 828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [2.070,2.020],
"number_observations_unique": 808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [2.220,2.140],
"number_observations_unique": 805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [2.310,2.220],
"number_observations_unique": 829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [2.410,2.310],
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
{
"resolution_limits": [2.540,2.410],
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
{
"resolution_limits": [2.700,2.540],
"number_observations_unique": 810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
}
]
},
{
"resolution_limits": [2.910,2.700],
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
}
]
},
{
"resolution_limits": [3.200,2.910],
"number_observations_unique": 827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [3.660,3.200],
"number_observations_unique": 804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [4.610,3.660],
"number_observations_unique": 816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [50.000,4.610],
"number_observations_unique": 840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.600
}
]
}
]
}