Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fdd28da32944a0588eed183af923ef5a",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 159.850,
"b": 311.964,
"c": 88.150,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97951],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.500],
"number_observations": 176259,
"number_observations_unique": 27438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
"refln_shells": [
{
"resolution_limits": [3.630,3.500],
"number_observations_unique": 2708,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.366
},
{
"type": "R(meas)",
"value": 1.487
},
{
"type": "R(pim)",
"value": 0.581
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
},
{
"resolution_limits": [3.770,3.630],
"number_observations_unique": 2686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.844
},
{
"type": "R(meas)",
"value": 0.920
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [3.940,3.770],
"number_observations_unique": 2716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.645
},
{
"type": "R(meas)",
"value": 0.706
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [4.150,3.940],
"number_observations_unique": 2709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "R(pim)",
"value": 0.192
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [4.410,4.150],
"number_observations_unique": 2722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [4.750,4.410],
"number_observations_unique": 2721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [5.230,4.750],
"number_observations_unique": 2726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [5.980,5.230],
"number_observations_unique": 2759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [7.530,5.980],
"number_observations_unique": 2789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [50.000,7.530],
"number_observations_unique": 2902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}