Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "859dc5a96d8182c667d3264d5fda54d6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.135,
"b": 56.296,
"c": 98.335,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.020],
"number_observations_unique": 17704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.030],
"number_observations_unique": 1431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.960
},
{
"type": "R(meas)",
"value": 1.133
},
{
"type": "R(pim)",
"value": 0.578
},
{
"type": "Completeness",
"value": 79.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.467
}
]
},
{
"resolution_limits": [2.190,2.100],
"number_observations_unique": 1634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.668
},
{
"type": "R(meas)",
"value": 0.767
},
{
"type": "R(pim)",
"value": 0.364
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.704
}
]
},
{
"resolution_limits": [2.290,2.190],
"number_observations_unique": 1738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.631
},
{
"type": "R(meas)",
"value": 0.716
},
{
"type": "R(pim)",
"value": 0.327
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
},
{
"resolution_limits": [2.410,2.290],
"number_observations_unique": 1715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "R(meas)",
"value": 0.596
},
{
"type": "R(pim)",
"value": 0.261
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [2.560,2.410],
"number_observations_unique": 1724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "R(meas)",
"value": 0.518
},
{
"type": "R(pim)",
"value": 0.219
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [2.760,2.560],
"number_observations_unique": 1836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "R(meas)",
"value": 0.436
},
{
"type": "R(pim)",
"value": 0.169
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [3.030,2.760],
"number_observations_unique": 1852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.470,3.030],
"number_observations_unique": 1867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.370,3.470],
"number_observations_unique": 1904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [50.000,4.370],
"number_observations_unique": 2003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}