Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8b467f132c2934017f3d82115497036",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 70.82,
"b": 109.35,
"c": 113.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.685,2.300],
"number_observations_unique": 19152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.300],
"number_observations": 11151,
"number_observations_unique": 2787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.520
},
{
"type": "R(pim)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.570,2.420],
"number_observations": 10562,
"number_observations_unique": 2639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.750,2.570],
"number_observations": 10012,
"number_observations_unique": 2519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.970,2.750],
"number_observations": 9456,
"number_observations_unique": 2343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.250,2.970],
"number_observations": 8524,
"number_observations_unique": 2130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.640,3.250],
"number_observations": 7869,
"number_observations_unique": 1942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [4.200,3.640],
"number_observations": 6905,
"number_observations_unique": 1684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [5.140,4.200],
"number_observations": 5867,
"number_observations_unique": 1413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [7.270,5.140],
"number_observations": 4531,
"number_observations_unique": 1092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [40.430,7.270],
"number_observations": 2347,
"number_observations_unique": 603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
}
]
}