Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a30f486edd51cbaac848d2dead0473b",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 57.871,
"b": 57.871,
"c": 392.442,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.407,2.100],
"number_observations_unique": 22705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 93.2
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations_unique": 1158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
{
"resolution_limits": [2.170,2.140],
"number_observations_unique": 1136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [2.220,2.170],
"number_observations_unique": 1165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 7.9
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 1138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 8.0
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 1180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 8.1
}
]
},
{
"resolution_limits": [2.360,2.310],
"number_observations_unique": 1134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 8.2
}
]
},
{
"resolution_limits": [2.420,2.360],
"number_observations_unique": 1192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 8.2
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 8.3
}
]
},
{
"resolution_limits": [2.560,2.490],
"number_observations_unique": 1164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 8.3
}
]
},
{
"resolution_limits": [2.640,2.560],
"number_observations_unique": 1198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 8.2
}
]
},
{
"resolution_limits": [2.740,2.640],
"number_observations_unique": 1148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 8.3
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 1167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 8.2
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 1160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 8.1
}
]
},
{
"resolution_limits": [3.130,2.980],
"number_observations_unique": 1183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 8.1
}
]
},
{
"resolution_limits": [3.330,3.130],
"number_observations_unique": 1168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 95.5
},
{
"type": "Redundancy",
"value": 8.0
}
]
},
{
"resolution_limits": [3.590,3.330],
"number_observations_unique": 1152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 92.2
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [3.940,3.590],
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 88.8
},
{
"type": "Redundancy",
"value": 6.8
}
]
},
{
"resolution_limits": [4.510,3.940],
"number_observations_unique": 945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 74.3
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [5.660,4.510],
"number_observations_unique": 979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 75.0
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [20.000,5.660],
"number_observations_unique": 1099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 75.4
},
{
"type": "Redundancy",
"value": 6.3
}
]
}
]
}