Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d5b2ff81e85aa735e381960d579b4838",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 66.24,
"b": 128.27,
"c": 254.14,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.500],
"number_observations": 101790,
"number_observations_unique": 25405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.560,3.500],
"number_observations_unique": 1190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.993
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.630,3.560],
"number_observations_unique": 1233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.990
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [3.690,3.630],
"number_observations_unique": 1290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.770,3.690],
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.682
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.850,3.770],
"number_observations_unique": 1256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.618
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.940,3.850],
"number_observations_unique": 1304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.535
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [4.040,3.940],
"number_observations_unique": 1277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [4.150,4.040],
"number_observations_unique": 1317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [4.270,4.150],
"number_observations_unique": 1259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [4.410,4.270],
"number_observations_unique": 1298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [4.570,4.410],
"number_observations_unique": 1253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.750,4.570],
"number_observations_unique": 1291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [4.970,4.750],
"number_observations_unique": 1221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [5.230,4.970],
"number_observations_unique": 1269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [5.550,5.230],
"number_observations_unique": 1310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [5.980,5.550],
"number_observations_unique": 1279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [6.580,5.980],
"number_observations_unique": 1263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [7.530,6.580],
"number_observations_unique": 1256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 87.200
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [9.480,7.530],
"number_observations_unique": 1304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [50.000,9.480],
"number_observations_unique": 1273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 81.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
}
]
}