Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45d8371eacd521b027b39f6d8e469bb8",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 206.97,
"b": 206.97,
"c": 238.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.120,3.910],
"number_observations": 378092,
"number_observations_unique": 46832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "R(meas)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 7.720
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 8.073
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [4.150,3.910],
"number_observations": 59863,
"number_observations_unique": 7376,
"quality_factors": [
{
"type": "R(merge)",
"value": 8.380
},
{
"type": "R(meas)",
"value": 8.940
},
{
"type": "I/SigI",
"value": 0.520
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 8.116
},
{
"type": "CC(1/2)",
"value": 0.215
}
]
},
{
"resolution_limits": [4.430,4.150],
"number_observations": 57007,
"number_observations_unique": 6911,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.625
},
{
"type": "R(meas)",
"value": 2.797
},
{
"type": "I/SigI",
"value": 1.250
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.249
},
{
"type": "CC(1/2)",
"value": 0.495
}
]
},
{
"resolution_limits": [4.780,4.430],
"number_observations": 53993,
"number_observations_unique": 6554,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.532
},
{
"type": "R(meas)",
"value": 1.633
},
{
"type": "I/SigI",
"value": 2.150
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.238
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [5.240,4.780],
"number_observations": 50412,
"number_observations_unique": 6149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.871
},
{
"type": "R(meas)",
"value": 0.929
},
{
"type": "I/SigI",
"value": 3.490
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.198
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [5.840,5.240],
"number_observations": 44300,
"number_observations_unique": 5425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "R(meas)",
"value": 0.696
},
{
"type": "I/SigI",
"value": 4.420
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.166
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [6.730,5.840],
"number_observations": 39740,
"number_observations_unique": 4909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "R(meas)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 6.310
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.095
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [8.210,6.730],
"number_observations": 33344,
"number_observations_unique": 4196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 12.920
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.947
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [11.450,8.210],
"number_observations": 24884,
"number_observations_unique": 3299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 33.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.543
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [49.120,11.450],
"number_observations": 14549,
"number_observations_unique": 2013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 46.890
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 7.228
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}