Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b4d73193553d804f65fa19565370a835",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.622,
"b": 78.602,
"c": 79.684,
"alpha": 90.00,
"beta": 90.98,
"gamma": 90.00
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.00,2.50],
"number_observations_unique": 16067,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
"refln_shells": [
{
"resolution_limits": [2.59,2.50],
"number_observations_unique": 1194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 70.4
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.69,2.59],
"number_observations_unique": 1398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 81.9
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.81,2.69],
"number_observations_unique": 1550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 91.5
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.96,2.81],
"number_observations_unique": 1666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.15,2.96],
"number_observations_unique": 1719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.39,3.15],
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.73,3.39],
"number_observations_unique": 1694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.26,3.73],
"number_observations_unique": 1701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.35,4.26],
"number_observations_unique": 1708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [20.00,5.35],
"number_observations_unique": 1723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}