Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da4a87ece45018f9a26514c52f14107c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 38.17,
"b": 86.87,
"c": 79.58,
"alpha": 90.00,
"beta": 101.05,
"gamma": 90.00
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20,1.400],
"number_observations_unique": 98848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 13.610
},
{
"type": "Completeness",
"value": 98.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.400],
"number_observations": 41913,
"number_observations_unique": 7155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.556
},
{
"type": "I/SigI",
"value": 2.990
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [1.480,1.440],
"number_observations": 41774,
"number_observations_unique": 7038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "I/SigI",
"value": 3.840
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [1.520,1.480],
"number_observations": 41175,
"number_observations_unique": 6857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 4.550
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [1.570,1.520],
"number_observations": 40794,
"number_observations_unique": 6690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 5.520
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [1.620,1.570],
"number_observations": 39649,
"number_observations_unique": 6430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 6.470
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [1.670,1.620],
"number_observations": 39250,
"number_observations_unique": 6299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 7.460
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [1.740,1.670],
"number_observations": 38238,
"number_observations_unique": 6110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 8.690
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [1.810,1.740],
"number_observations": 37045,
"number_observations_unique": 5882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 10.340
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [1.890,1.810],
"number_observations": 35579,
"number_observations_unique": 5621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 12.230
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [1.980,1.890],
"number_observations": 34134,
"number_observations_unique": 5396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 14.520
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.090,1.980],
"number_observations": 32237,
"number_observations_unique": 5109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 18.020
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.210,2.090],
"number_observations": 30948,
"number_observations_unique": 4902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 19.460
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.370,2.210],
"number_observations": 28791,
"number_observations_unique": 4570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 21.050
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.560,2.370],
"number_observations": 26951,
"number_observations_unique": 4292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 23.650
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.800,2.560],
"number_observations": 24535,
"number_observations_unique": 3912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 25.680
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.130,2.800],
"number_observations": 22329,
"number_observations_unique": 3580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 28.370
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.610,3.130],
"number_observations": 19637,
"number_observations_unique": 3141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 30.840
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [4.430,3.610],
"number_observations": 16649,
"number_observations_unique": 2664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 32.980
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [6.260,4.430],
"number_observations": 13012,
"number_observations_unique": 2084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 33.530
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [20,6.260],
"number_observations": 6717,
"number_observations_unique": 1116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 33.260
},
{
"type": "Completeness",
"value": 96.000
}
]
}
]
}