Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "287a03031978e2ecca66d1da1ab30701",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 71.261,
"b": 74.602,
"c": 195.843,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.40],
"number_observations_unique": 20694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.7
},
{
"type": "CC(1/2)",
"value": 1.00
}
]
},
"refln_shells": [
{
"resolution_limits": [2.49,2.40],
"number_observations_unique": 2029,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.357
},
{
"type": "R(meas)",
"value": 1.429
},
{
"type": "R(pim)",
"value": 0.444
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.2
},
{
"type": "CC(1/2)",
"value": 0.714
}
]
},
{
"resolution_limits": [2.59,2.49],
"number_observations_unique": 2054,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.036
},
{
"type": "R(meas)",
"value": 1.093
},
{
"type": "R(pim)",
"value": 0.343
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.791
}
]
},
{
"resolution_limits": [2.70,2.59],
"number_observations_unique": 2043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.688
},
{
"type": "R(meas)",
"value": 0.727
},
{
"type": "R(pim)",
"value": 0.232
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [2.85,2.70],
"number_observations_unique": 2040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.563
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [3.02,2.85],
"number_observations_unique": 2048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [3.26,3.02],
"number_observations_unique": 2047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.58,3.26],
"number_observations_unique": 2040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.10,3.58],
"number_observations_unique": 2079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.7
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.17,4.10],
"number_observations_unique": 2121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.00,5.17],
"number_observations_unique": 2193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 8.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}