Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9eca159356663613d76a10e8cfcfe727",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 73.262,
"b": 42.802,
"c": 64.550,
"alpha": 90.00,
"beta": 104.53,
"gamma": 90.00
},
"wavelengths": [0.91837,0.97971,0.97894],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.049,1.40],
"number_observations_unique": 36767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 89.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.400],
"number_observations": 8448,
"number_observations_unique": 5956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 79.700
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations": 9541,
"number_observations_unique": 6863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 88.100
}
]
},
{
"resolution_limits": [1.580,1.510],
"number_observations": 10200,
"number_observations_unique": 7014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 92.900
}
]
},
{
"resolution_limits": [1.660,1.580],
"number_observations": 9442,
"number_observations_unique": 6568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 92.400
}
]
},
{
"resolution_limits": [1.760,1.660],
"number_observations": 9106,
"number_observations_unique": 6481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 89.000
}
]
},
{
"resolution_limits": [1.900,1.760],
"number_observations": 10246,
"number_observations_unique": 7135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 93.200
}
]
},
{
"resolution_limits": [2.090,1.900],
"number_observations": 9998,
"number_observations_unique": 6935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 13.3
},
{
"type": "Completeness",
"value": 92.800
}
]
},
{
"resolution_limits": [2.390,2.090],
"number_observations": 9513,
"number_observations_unique": 6685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 16.8
},
{
"type": "Completeness",
"value": 89.400
}
]
},
{
"resolution_limits": [3.010,2.390],
"number_observations": 9986,
"number_observations_unique": 6883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.9
},
{
"type": "Completeness",
"value": 91.900
}
]
},
{
"resolution_limits": [27.049,3.010],
"number_observations": 9705,
"number_observations_unique": 6655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 25.3
},
{
"type": "Completeness",
"value": 88.300
}
]
}
]
}