Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "15a3e2ffe9fe58a44b8a005624fa8055",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 42.812,
"b": 42.812,
"c": 348.223,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97780],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.2,2.000],
"number_observations_unique": 23425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 13.480
},
{
"type": "Completeness",
"value": 100.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 17152,
"number_observations_unique": 1704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.573
},
{
"type": "I/SigI",
"value": 3.170
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [2.110,2.050],
"number_observations": 16585,
"number_observations_unique": 1604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 3.910
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [2.170,2.110],
"number_observations": 17513,
"number_observations_unique": 1617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 4.880
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [2.240,2.170],
"number_observations": 17005,
"number_observations_unique": 1551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [2.310,2.240],
"number_observations": 15767,
"number_observations_unique": 1483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 7.050
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [2.390,2.310],
"number_observations": 15629,
"number_observations_unique": 1493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 8.520
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations": 13713,
"number_observations_unique": 1384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 9.530
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations": 13879,
"number_observations_unique": 1373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 10.640
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations": 14179,
"number_observations_unique": 1321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 13.230
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [2.830,2.700],
"number_observations": 13428,
"number_observations_unique": 1268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 14.620
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [2.980,2.830],
"number_observations": 12316,
"number_observations_unique": 1192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 16.440
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [3.160,2.980],
"number_observations": 11273,
"number_observations_unique": 1152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [3.380,3.160],
"number_observations": 10161,
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [3.650,3.380],
"number_observations": 10111,
"number_observations_unique": 1011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 24.180
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [4.000,3.650],
"number_observations": 9108,
"number_observations_unique": 952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 25.690
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [4.470,4.000],
"number_observations": 7889,
"number_observations_unique": 861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 26.780
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [5.160,4.470],
"number_observations": 6856,
"number_observations_unique": 788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 26.730
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [6.320,5.160],
"number_observations": 6667,
"number_observations_unique": 679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 26.810
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [8.940,6.320],
"number_observations": 4865,
"number_observations_unique": 549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 26.890
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [19.2,8.940],
"number_observations": 2743,
"number_observations_unique": 348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 27.790
},
{
"type": "Completeness",
"value": 99.700
}
]
}
]
}