Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c88b80fa02bab04c50cd26797b6181bf",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 88.261,
"b": 88.261,
"c": 134.403,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.660],
"number_observations_unique": 23956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 1183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.654
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 1169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.598
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [1.750,1.720],
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [1.790,1.750],
"number_observations_unique": 1183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations_unique": 1176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [1.920,1.870],
"number_observations_unique": 1176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [1.970,1.920],
"number_observations_unique": 1176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [2.030,1.970],
"number_observations_unique": 1187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [2.090,2.030],
"number_observations_unique": 1201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 1178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [2.250,2.170],
"number_observations_unique": 1210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [2.360,2.250],
"number_observations_unique": 1196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [2.480,2.360],
"number_observations_unique": 1189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [2.630,2.480],
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [2.840,2.630],
"number_observations_unique": 1211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [3.120,2.840],
"number_observations_unique": 1196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [3.580,3.120],
"number_observations_unique": 1222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [4.500,3.580],
"number_observations_unique": 1228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [50.000,4.500],
"number_observations_unique": 1277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 10.500
}
]
}
]
}