Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "48a16209504e9526679f46267c4c7fad",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 65.855,
"b": 87.096,
"c": 78.823,
"alpha": 90.00,
"beta": 112.59,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.78,2.380],
"number_observations_unique": 16392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.380],
"number_observations_unique": 797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.488
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.470,2.420],
"number_observations_unique": 837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.510,2.470],
"number_observations_unique": 804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.560,2.510],
"number_observations_unique": 820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.620,2.560],
"number_observations_unique": 818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.680,2.620],
"number_observations_unique": 795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.750,2.680],
"number_observations_unique": 835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.820,2.750],
"number_observations_unique": 814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.900,2.820],
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.110,3.000],
"number_observations_unique": 820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.230,3.110],
"number_observations_unique": 812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.380,3.230],
"number_observations_unique": 819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.550,3.380],
"number_observations_unique": 814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [3.780,3.550],
"number_observations_unique": 814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [4.070,3.780],
"number_observations_unique": 832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [4.480,4.070],
"number_observations_unique": 831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [5.130,4.480],
"number_observations_unique": 812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [6.460,5.130],
"number_observations_unique": 831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [50.000,6.460],
"number_observations_unique": 852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.000
}
]
}
]
}