Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "565ddd114008e04ca61c13110f0a1834",
"space_group_name": "P 61",
"unit_cell": {
"a": 93.460,
"b": 93.460,
"c": 56.231,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.0,1.794],
"number_observations_unique": 26333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 13.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.794],
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.540
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
{
"resolution_limits": [1.860,1.830],
"number_observations_unique": 1288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
{
"resolution_limits": [1.980,1.940],
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 1298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
{
"resolution_limits": [2.080,2.030],
"number_observations_unique": 1321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
}
]
},
{
"resolution_limits": [2.130,2.080],
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
{
"resolution_limits": [2.200,2.130],
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
}
]
},
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 1286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
}
]
},
{
"resolution_limits": [2.350,2.270],
"number_observations_unique": 1323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
{
"resolution_limits": [2.440,2.350],
"number_observations_unique": 1312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.5
}
]
},
{
"resolution_limits": [2.550,2.440],
"number_observations_unique": 1302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.3
}
]
},
{
"resolution_limits": [2.690,2.550],
"number_observations_unique": 1316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
{
"resolution_limits": [2.860,2.690],
"number_observations_unique": 1324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.3
}
]
},
{
"resolution_limits": [3.080,2.860],
"number_observations_unique": 1308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.3
}
]
},
{
"resolution_limits": [3.390,3.080],
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.1
}
]
},
{
"resolution_limits": [3.880,3.390],
"number_observations_unique": 1324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.3
}
]
},
{
"resolution_limits": [4.880,3.880],
"number_observations_unique": 1335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.2
}
]
},
{
"resolution_limits": [30.000,4.880],
"number_observations_unique": 1374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.8
}
]
}
]
}