Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "63d2d252676b981d1c827b314e1131e9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.907,
"b": 64.359,
"c": 76.166,
"alpha": 90.00,
"beta": 101.43,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.770],
"number_observations": 143309,
"number_observations_unique": 45130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations_unique": 2102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [1.830,1.800],
"number_observations_unique": 2241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 2221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.910,1.870],
"number_observations_unique": 2273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.950,1.910],
"number_observations_unique": 2231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.990,1.950],
"number_observations_unique": 2256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.040,1.990],
"number_observations_unique": 2223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.100,2.040],
"number_observations_unique": 2237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.160,2.100],
"number_observations_unique": 2295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.230,2.160],
"number_observations_unique": 2238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.310,2.230],
"number_observations_unique": 2250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.400,2.310],
"number_observations_unique": 2254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.510,2.400],
"number_observations_unique": 2263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.640,2.510],
"number_observations_unique": 2264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.810,2.640],
"number_observations_unique": 2284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.030,2.810],
"number_observations_unique": 2263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.330,3.030],
"number_observations_unique": 2286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.810,3.330],
"number_observations_unique": 2303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.800,3.810],
"number_observations_unique": 2285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [50.000,4.800],
"number_observations_unique": 2361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}