Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f466f211e86abd0bbe17e1c51c21583e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.38,
"b": 106.43,
"c": 134.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.400],
"number_observations_unique": 23270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 17.070
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.3
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.400],
"number_observations": 9128,
"number_observations_unique": 1743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.519
},
{
"type": "I/SigI",
"value": 3.020
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [2.530,2.460],
"number_observations": 8635,
"number_observations_unique": 1689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "I/SigI",
"value": 3.480
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [2.600,2.530],
"number_observations": 8805,
"number_observations_unique": 1646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 4.270
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [2.680,2.600],
"number_observations": 8177,
"number_observations_unique": 1583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 5.050
},
{
"type": "Completeness",
"value": 96.400
}
]
},
{
"resolution_limits": [2.770,2.680],
"number_observations": 8246,
"number_observations_unique": 1526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 96.800
}
]
},
{
"resolution_limits": [2.870,2.770],
"number_observations": 8014,
"number_observations_unique": 1499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 6.780
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [2.980,2.870],
"number_observations": 7768,
"number_observations_unique": 1431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 8.720
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [3.100,2.980],
"number_observations": 7596,
"number_observations_unique": 1396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 96.200
}
]
},
{
"resolution_limits": [3.240,3.100],
"number_observations": 7075,
"number_observations_unique": 1333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 13.210
},
{
"type": "Completeness",
"value": 95.600
}
]
},
{
"resolution_limits": [3.390,3.240],
"number_observations": 6564,
"number_observations_unique": 1250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 16.840
},
{
"type": "Completeness",
"value": 95.300
}
]
},
{
"resolution_limits": [3.580,3.390],
"number_observations": 6137,
"number_observations_unique": 1198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 94.000
}
]
},
{
"resolution_limits": [3.790,3.580],
"number_observations": 5416,
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 91.000
}
]
},
{
"resolution_limits": [4.060,3.790],
"number_observations": 5067,
"number_observations_unique": 1021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 30.450
},
{
"type": "Completeness",
"value": 91.200
}
]
},
{
"resolution_limits": [4.380,4.060],
"number_observations": 5339,
"number_observations_unique": 1001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 36.900
},
{
"type": "Completeness",
"value": 93.900
}
]
},
{
"resolution_limits": [4.800,4.380],
"number_observations": 4893,
"number_observations_unique": 924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 40.330
},
{
"type": "Completeness",
"value": 93.700
}
]
},
{
"resolution_limits": [5.370,4.800],
"number_observations": 4430,
"number_observations_unique": 840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 38.840
},
{
"type": "Completeness",
"value": 93.200
}
]
},
{
"resolution_limits": [6.200,5.370],
"number_observations": 3797,
"number_observations_unique": 728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 33.120
},
{
"type": "Completeness",
"value": 91.900
}
]
},
{
"resolution_limits": [7.590,6.200],
"number_observations": 3348,
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 41.460
},
{
"type": "Completeness",
"value": 91.300
}
]
},
{
"resolution_limits": [10.730,7.590],
"number_observations": 2666,
"number_observations_unique": 500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 57.930
},
{
"type": "Completeness",
"value": 90.700
}
]
},
{
"resolution_limits": [50,10.730],
"number_observations": 1192,
"number_observations_unique": 238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 62.890
},
{
"type": "Completeness",
"value": 72.600
}
]
}
]
}