Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ed3c2b5463171ccc79b8198c6f2de00",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.427,
"b": 107.651,
"c": 68.718,
"alpha": 90.00,
"beta": 106.69,
"gamma": 90.00
},
"wavelengths": [1.07500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.250],
"number_observations_unique": 41096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.29,2.25],
"number_observations_unique": 1945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "Completeness",
"value": 92.60
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.33,2.29],
"number_observations_unique": 2036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.38,2.33],
"number_observations_unique": 2060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.42,2.38],
"number_observations_unique": 2062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.48,2.42],
"number_observations_unique": 2077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.53,2.48],
"number_observations_unique": 2077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.60,2.53],
"number_observations_unique": 2056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.67,2.60],
"number_observations_unique": 2104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.75,2.67],
"number_observations_unique": 2079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.83,2.75],
"number_observations_unique": 2076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.94,2.83],
"number_observations_unique": 2073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [3.05,2.94],
"number_observations_unique": 2072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [3.19,3.05],
"number_observations_unique": 2075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 2.80
}
]
},
{
"resolution_limits": [3.36,3.19],
"number_observations_unique": 2083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [3.57,3.36],
"number_observations_unique": 2048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [3.85,3.57],
"number_observations_unique": 2039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [4.23,3.85],
"number_observations_unique": 2070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [4.85,4.23],
"number_observations_unique": 2038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 96.30
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [6.10,4.85],
"number_observations_unique": 2020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 95.10
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [50.00,6.10],
"number_observations_unique": 2006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 92.70
},
{
"type": "Redundancy",
"value": 2.80
}
]
}
]
}