Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "876807d5ebfdc0bad4ea71a6b72ff1d0",
"space_group_name": "P 61",
"unit_cell": {
"a": 115.649,
"b": 115.649,
"c": 56.614,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.882,2.590],
"number_observations": 275472,
"number_observations_unique": 13306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 16.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.704
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.750,2.590],
"number_observations": 45414,
"number_observations_unique": 4165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.591
},
{
"type": "R(meas)",
"value": 0.620
},
{
"type": "I/SigI",
"value": 5.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.904
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.940,2.750],
"number_observations": 43687,
"number_observations_unique": 3902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "R(meas)",
"value": 0.458
},
{
"type": "I/SigI",
"value": 8.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.196
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.170,2.940],
"number_observations": 40430,
"number_observations_unique": 3633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 11.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.129
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.470,3.170],
"number_observations": 36346,
"number_observations_unique": 3361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 16.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.814
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.880,3.470],
"number_observations": 31082,
"number_observations_unique": 3013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 20.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.316
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.480,3.880],
"number_observations": 24674,
"number_observations_unique": 2663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 24.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.265
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.470,4.480],
"number_observations": 23094,
"number_observations_unique": 2256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 27.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.237
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [7.690,5.470],
"number_observations": 19972,
"number_observations_unique": 1759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 28.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.354
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [48.882,7.690],
"number_observations": 10773,
"number_observations_unique": 984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 33.430
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.948
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}