Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "edf6a6c6a2fc8724a9a277c2950f4885",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.971,
"b": 65.991,
"c": 106.544,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07805],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.240],
"number_observations": 571090,
"number_observations_unique": 118748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.240],
"number_observations_unique": 10916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.468
},
{
"type": "R(pim)",
"value": 0.207
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [1.340,1.280],
"number_observations_unique": 11684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [1.400,1.340],
"number_observations_unique": 11712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [1.470,1.400],
"number_observations_unique": 11819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [1.560,1.470],
"number_observations_unique": 11867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.680,1.560],
"number_observations_unique": 11958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.850,1.680],
"number_observations_unique": 12032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.120,1.850],
"number_observations_unique": 12130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.670,2.120],
"number_observations_unique": 12234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [50.000,2.670],
"number_observations_unique": 12396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}