Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "37c24a300f28e0fb7968e615e033840b",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 95.235,
"b": 95.235,
"c": 66.979,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.050],
"number_observations_unique": 20307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.050],
"number_observations_unique": 1987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.594
},
{
"type": "R(meas)",
"value": 0.617
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.210,2.120],
"number_observations_unique": 1970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.310,2.210],
"number_observations_unique": 1996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.430,2.310],
"number_observations_unique": 2000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.580,2.430],
"number_observations_unique": 2011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.780,2.580],
"number_observations_unique": 1996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.060,2.780],
"number_observations_unique": 2033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.510,3.060],
"number_observations_unique": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.420,3.510],
"number_observations_unique": 2075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,4.420],
"number_observations_unique": 2205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}