Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75a5b83ddac29767ba2e0dd0299100d2",
"space_group_name": "P 1",
"unit_cell": {
"a": 60.242,
"b": 66.858,
"c": 72.771,
"alpha": 85.17,
"beta": 80.71,
"gamma": 89.69
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.00,2.100],
"number_observations": 123662,
"number_observations_unique": 62804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.100],
"number_observations": 17079,
"number_observations_unique": 9071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.630
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [2.350,2.210],
"number_observations": 17023,
"number_observations_unique": 8627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(pim)",
"value": 0.516
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.510,2.350],
"number_observations": 16304,
"number_observations_unique": 8213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.710,2.510],
"number_observations": 15185,
"number_observations_unique": 7635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.970,2.710],
"number_observations": 13919,
"number_observations_unique": 6994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.320,2.970],
"number_observations": 12709,
"number_observations_unique": 6396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.830,3.320],
"number_observations": 11159,
"number_observations_unique": 5607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [4.700,3.830],
"number_observations": 9438,
"number_observations_unique": 4758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [6.640,4.700],
"number_observations": 7355,
"number_observations_unique": 3696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [71.559,6.640],
"number_observations": 3491,
"number_observations_unique": 1807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 1.900
}
]
}
]
}