Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9d15fe95dcba6a418c5ae52bc5728504",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.42,
"b": 91.77,
"c": 97.71,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.893,2.400],
"number_observations": 61883,
"number_observations_unique": 17045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.530,2.400],
"number_observations": 8848,
"number_observations_unique": 2485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.680,2.530],
"number_observations": 8799,
"number_observations_unique": 2360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.870,2.680],
"number_observations": 7885,
"number_observations_unique": 2169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.100,2.870],
"number_observations": 7280,
"number_observations_unique": 2032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.390,3.100],
"number_observations": 7144,
"number_observations_unique": 1908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.790,3.390],
"number_observations": 6137,
"number_observations_unique": 1694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.380,3.790],
"number_observations": 5611,
"number_observations_unique": 1539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [5.370,4.380],
"number_observations": 4743,
"number_observations_unique": 1286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [7.590,5.370],
"number_observations": 3612,
"number_observations_unique": 1017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [19.698,7.590],
"number_observations": 1824,
"number_observations_unique": 555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 3.300
}
]
}
]
}