Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb59d4631a085fefe61ce2a10e3a8c07",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.860,
"b": 81.662,
"c": 84.346,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.34],
"number_observations_unique": 19735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.350],
"number_observations_unique": 2001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "R(meas)",
"value": 1.020
},
{
"type": "R(pim)",
"value": 0.480
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.518
}
]
},
{
"resolution_limits": [2.530,2.430],
"number_observations_unique": 2054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.770
},
{
"type": "R(meas)",
"value": 0.881
},
{
"type": "R(pim)",
"value": 0.417
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.590
}
]
},
{
"resolution_limits": [2.650,2.530],
"number_observations_unique": 2058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.628
},
{
"type": "R(meas)",
"value": 0.714
},
{
"type": "R(pim)",
"value": 0.331
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.691
}
]
},
{
"resolution_limits": [2.790,2.650],
"number_observations_unique": 1992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "R(meas)",
"value": 0.593
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [2.960,2.790],
"number_observations_unique": 1975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "R(meas)",
"value": 0.446
},
{
"type": "R(pim)",
"value": 0.204
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [3.190,2.960],
"number_observations_unique": 1953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [3.510,3.190],
"number_observations_unique": 1899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [4.020,3.510],
"number_observations_unique": 1885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 83.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [5.060,4.020],
"number_observations_unique": 1916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [50.000,5.060],
"number_observations_unique": 2002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 83.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}