Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b44cfc40e8daba0f7d51684395456b3a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.029,
"b": 48.414,
"c": 56.852,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03679],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.414,1.301],
"number_observations": 259151,
"number_observations_unique": 31101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.300],
"number_observations": 32163,
"number_observations_unique": 4327,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.043
},
{
"type": "R(pim)",
"value": 0.431
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.450,1.370],
"number_observations": 33687,
"number_observations_unique": 4264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.746
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [1.550,1.450],
"number_observations": 33571,
"number_observations_unique": 4005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [1.680,1.550],
"number_observations": 31880,
"number_observations_unique": 3746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [1.840,1.680],
"number_observations": 29996,
"number_observations_unique": 3448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.700
}
]
},
{
"resolution_limits": [2.060,1.840],
"number_observations": 28148,
"number_observations_unique": 3150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [2.370,2.060],
"number_observations": 24365,
"number_observations_unique": 2801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.700
}
]
},
{
"resolution_limits": [2.910,2.370],
"number_observations": 20719,
"number_observations_unique": 2367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.800
}
]
},
{
"resolution_limits": [4.110,2.910],
"number_observations": 15843,
"number_observations_unique": 1887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [48.414,4.110],
"number_observations": 8779,
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.900
}
]
}
]
}