Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b2d876ecab21b2164500c393ce9c88a",
"space_group_name": "P 1",
"unit_cell": {
"a": 4.88,
"b": 14.17,
"c": 17.62,
"alpha": 83.60,
"beta": 84.98,
"gamma": 83.31
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [14.0,1.400],
"number_observations": 6026,
"number_observations_unique": 713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 77.200
},
{
"type": "Redundancy",
"value": 8.452
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.400],
"number_observations": 1308,
"number_observations_unique": 153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 6.610
},
{
"type": "Completeness",
"value": 78.500
},
{
"type": "Redundancy",
"value": 8.549
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [1.660,1.510],
"number_observations": 1230,
"number_observations_unique": 143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 7.690
},
{
"type": "Completeness",
"value": 78.100
},
{
"type": "Redundancy",
"value": 8.601
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.850,1.660],
"number_observations": 754,
"number_observations_unique": 105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 7.680
},
{
"type": "Completeness",
"value": 73.900
},
{
"type": "Redundancy",
"value": 7.181
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.140,1.850],
"number_observations": 958,
"number_observations_unique": 114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 9.370
},
{
"type": "Completeness",
"value": 78.100
},
{
"type": "Redundancy",
"value": 8.404
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.620,2.140],
"number_observations": 927,
"number_observations_unique": 97,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 10.250
},
{
"type": "Completeness",
"value": 77.600
},
{
"type": "Redundancy",
"value": 9.557
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [3.700,2.620],
"number_observations": 501,
"number_observations_unique": 63,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 10.310
},
{
"type": "Completeness",
"value": 75.900
},
{
"type": "Redundancy",
"value": 7.952
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [14.0,3.700],
"number_observations": 348,
"number_observations_unique": 38,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 11.360
},
{
"type": "Completeness",
"value": 76.000
},
{
"type": "Redundancy",
"value": 9.158
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
}
]
}