Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1300578ccd04ed2ac14ab837a847f29a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.713,
"b": 64.958,
"c": 71.674,
"alpha": 90.00,
"beta": 101.62,
"gamma": 90.00
},
"wavelengths": [0.97917],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.64],
"number_observations_unique": 62431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.650],
"number_observations_unique": 6220,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.158
},
{
"type": "R(meas)",
"value": 1.249
},
{
"type": "R(pim)",
"value": 0.462
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.687
}
]
},
{
"resolution_limits": [1.780,1.710],
"number_observations_unique": 6199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.758
},
{
"type": "R(meas)",
"value": 0.816
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [1.860,1.780],
"number_observations_unique": 6222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "R(pim)",
"value": 0.194
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [1.960,1.860],
"number_observations_unique": 6192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "R(meas)",
"value": 0.356
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.080,1.960],
"number_observations_unique": 6254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.240,2.080],
"number_observations_unique": 6227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.460,2.240],
"number_observations_unique": 6227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.820,2.460],
"number_observations_unique": 6258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.550,2.820],
"number_observations_unique": 6277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,3.550],
"number_observations_unique": 6355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}