Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b6e92d74a854b85272b2e7d07569df2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.417,
"b": 81.440,
"c": 159.976,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.440],
"number_observations": 125343,
"number_observations_unique": 23193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.440],
"number_observations_unique": 1138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 1137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.580,2.530],
"number_observations_unique": 1170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.630,2.580],
"number_observations_unique": 1167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.690,2.630],
"number_observations_unique": 1122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.750,2.690],
"number_observations_unique": 1179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.820,2.750],
"number_observations_unique": 1181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.890,2.820],
"number_observations_unique": 1147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.980,2.890],
"number_observations_unique": 1154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.070,2.980],
"number_observations_unique": 1154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [3.180,3.070],
"number_observations_unique": 1169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [3.310,3.180],
"number_observations_unique": 1172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [3.460,3.310],
"number_observations_unique": 1142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.640,3.460],
"number_observations_unique": 1168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.870,3.640],
"number_observations_unique": 1158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [4.170,3.870],
"number_observations_unique": 1155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [4.590,4.170],
"number_observations_unique": 1149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [5.250,4.590],
"number_observations_unique": 1180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [6.620,5.250],
"number_observations_unique": 1207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [50.000,6.620],
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 80.400
},
{
"type": "Redundancy",
"value": 4.900
}
]
}
]
}