Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79c5f216a1fc024e3a85c3e81545b172",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.982,
"b": 97.563,
"c": 31.502,
"alpha": 90.00,
"beta": 112.85,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.782,2.408],
"number_observations": 22313,
"number_observations_unique": 6669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.410],
"number_observations": 3034,
"number_observations_unique": 934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.690,2.540],
"number_observations": 3257,
"number_observations_unique": 933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.880,2.690],
"number_observations": 3051,
"number_observations_unique": 883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.110,2.880],
"number_observations": 2707,
"number_observations_unique": 801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.410,3.110],
"number_observations": 2367,
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.810,3.410],
"number_observations": 2190,
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [4.400,3.810],
"number_observations": 2077,
"number_observations_unique": 599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [5.390,4.400],
"number_observations": 1647,
"number_observations_unique": 496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [7.620,5.390],
"number_observations": 1239,
"number_observations_unique": 390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [48.782,7.620],
"number_observations": 744,
"number_observations_unique": 222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
}
]
}