Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ba6df18ffed948729afe69142166e93",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.979,
"b": 92.788,
"c": 116.710,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.12000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.880,1.400],
"number_observations": 827153,
"number_observations_unique": 118306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 12.450
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.992
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.400],
"number_observations": 120876,
"number_observations_unique": 18521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.994
},
{
"type": "R(meas)",
"value": 1.079
},
{
"type": "I/SigI",
"value": 1.960
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 6.526
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [1.590,1.490],
"number_observations": 118811,
"number_observations_unique": 17593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.574
},
{
"type": "R(meas)",
"value": 0.621
},
{
"type": "I/SigI",
"value": 3.480
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.753
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [1.720,1.590],
"number_observations": 114943,
"number_observations_unique": 16569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 5.720
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.937
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [1.880,1.720],
"number_observations": 109614,
"number_observations_unique": 15340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 9.010
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.146
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.100,1.880],
"number_observations": 101522,
"number_observations_unique": 14005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 7.249
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.430,2.100],
"number_observations": 89133,
"number_observations_unique": 12464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 20.720
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.151
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.970,2.430],
"number_observations": 77611,
"number_observations_unique": 10653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 25.140
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.285
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.200,2.970],
"number_observations": 61620,
"number_observations_unique": 8394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 30.670
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.341
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [35.880,4.200],
"number_observations": 33023,
"number_observations_unique": 4767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 33.290
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.927
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}