Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ee5fe93604ac6be2b14305c83b7c7eb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.024,
"b": 151.241,
"c": 143.410,
"alpha": 90.00,
"beta": 91.96,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,1.900],
"number_observations_unique": 268076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations_unique": 13135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.590
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.970,1.930],
"number_observations_unique": 13149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.010,1.970],
"number_observations_unique": 13158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 13238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 13261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.140,2.090],
"number_observations_unique": 13315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.190,2.140],
"number_observations_unique": 13375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.250,2.190],
"number_observations_unique": 13359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.320,2.250],
"number_observations_unique": 13376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations_unique": 13422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 13438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 13438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations_unique": 13521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.840,2.700],
"number_observations_unique": 13446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.020,2.840],
"number_observations_unique": 13520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.250,3.020],
"number_observations_unique": 13531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.580,3.250],
"number_observations_unique": 13563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [4.090,3.580],
"number_observations_unique": 13511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [5.150,4.090],
"number_observations_unique": 13560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [40.000,5.150],
"number_observations_unique": 13760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
}
]
}
]
}