Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48ad3756bf7feb3f58423feffba437af",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.090,
"b": 61.722,
"c": 86.525,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95350],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.263,1.250],
"number_observations": 396716,
"number_observations_unique": 59575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 18.120
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.659
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.250],
"number_observations": 48686,
"number_observations_unique": 9129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "I/SigI",
"value": 4.110
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.333
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [1.410,1.320],
"number_observations": 61164,
"number_observations_unique": 9041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "R(meas)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 6.180
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.765
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.530,1.410],
"number_observations": 58832,
"number_observations_unique": 8467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 9.450
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.948
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.670,1.530],
"number_observations": 55536,
"number_observations_unique": 7834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 14.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.089
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.870,1.670],
"number_observations": 50608,
"number_observations_unique": 7082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 20.840
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.146
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.160,1.870],
"number_observations": 44543,
"number_observations_unique": 6303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 29.330
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.067
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.640,2.160],
"number_observations": 37118,
"number_observations_unique": 5376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 36.890
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.904
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.730,2.640],
"number_observations": 27613,
"number_observations_unique": 4174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 41.050
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.615
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [43.263,3.730],
"number_observations": 12616,
"number_observations_unique": 2169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 42.160
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 5.817
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}