Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "270c5625cce1e576701129efbccc4bff",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 93.508,
"b": 133.032,
"c": 122.654,
"alpha": 90.00,
"beta": 109.39,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.270,1.794],
"number_observations_unique": 243208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 106049,
"number_observations_unique": 34037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.010,1.900],
"number_observations": 107234,
"number_observations_unique": 32947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.150,2.010],
"number_observations": 104127,
"number_observations_unique": 31211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.320,2.150],
"number_observations": 101254,
"number_observations_unique": 29318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.550,2.320],
"number_observations": 96839,
"number_observations_unique": 27223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.850,2.550],
"number_observations": 90448,
"number_observations_unique": 24734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.290,2.850],
"number_observations": 84329,
"number_observations_unique": 22102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.020,3.290],
"number_observations": 75124,
"number_observations_unique": 18900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [5.690,4.020],
"number_observations": 59482,
"number_observations_unique": 14708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [31.270,5.690],
"number_observations": 32375,
"number_observations_unique": 8028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
}
]
}